 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer05_B3LYPDBJ-def2SVPDr.in
 Output=12_L-valine_conformer05_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-48862.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     48863.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer05_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:50:06 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer05_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.066458000000     -1.742250000000      0.058829000000
  C                                                 1.144781000000     -0.237615000000      0.319196000000
  C                                                 0.017403000000      0.519585000000     -0.407509000000
  C                                                -1.339934000000     -0.122015000000     -0.159849000000
  O                                                -1.699602000000     -0.061835000000      1.148390000000
  C                                                 2.507306000000      0.318287000000     -0.090613000000
  N                                                 0.026381000000      1.937057000000     -0.047760000000
  O                                                -2.052705000000     -0.609463000000     -0.998100000000
  H                                                 0.182303000000      0.443607000000     -1.483828000000
  H                                                 1.004355000000     -0.066187000000      1.392046000000
  H                                                -2.578745000000     -0.464892000000      1.218746000000
  H                                                -0.631756000000      2.459844000000     -0.613015000000
  H                                                -0.239946000000      2.056537000000      0.923147000000
  H                                                 3.302392000000     -0.158123000000      0.485808000000
  H                                                 2.698710000000      0.120238000000     -1.148924000000
  H                                                 2.557607000000      1.394116000000      0.066259000000
  H                                                 1.885722000000     -2.256885000000      0.562881000000
  H                                                 0.132400000000     -2.176666000000      0.418486000000
  H                                                 1.144663000000     -1.956563000000     -1.009918000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:50:06 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.529004   0.000000
     3  C    2.536510   1.540270   0.000000
     4  C    2.909245   2.533112   1.521627   0.000000
     5  O    3.414971   2.967992   2.388928   1.358113   0.000000
     6  C    2.518767   1.527562   2.518047   3.872972   4.402010
     7  N    3.824973   2.472787   1.462439   2.473693   2.899200
     8  O    3.482741   3.478140   2.430822   1.203459   2.243211
     9  H    2.817710   2.154373   1.091525   2.095246   3.274998
    10  H    2.142548   1.095497   2.134385   2.811972   2.714916
    11  H    4.032934   3.837381   3.217745   1.884872   0.969689
    12  H    4.581801   3.361753   2.056270   2.715303   3.256026
    13  H    4.109078   2.746882   2.049169   2.670008   2.582408
    14  H    2.773296   2.165494   3.471089   4.687149   5.046606
    15  H    2.755318   2.167517   2.810442   4.165045   4.965476
    16  H    3.472805   2.173155   2.727984   4.188150   4.627594
    17  H    1.090922   2.164677   3.484402   3.935081   4.244480
    18  H    1.091116   2.189679   2.822279   2.593035   2.891626
    19  H    1.092825   2.172861   2.786561   3.203343   4.042045
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.962641   0.000000
     8  O    4.741092   3.422062   0.000000
     9  H    2.713373   2.077738   2.517965   0.000000
    10  H    2.145917   2.653764   3.918362   3.034190   0.000000
    11  H    5.309963   3.762988   2.282986   3.968962   3.609377
    12  H    3.835737   1.012899   3.404120   2.342268   3.616346
    13  H    3.405380   1.013837   3.752978   2.928031   2.504817
    14  H    1.091508   3.925140   5.575191   3.738516   2.471982
    15  H    1.093563   3.413903   4.809486   2.559108   3.059758
    16  H    1.088369   2.591311   5.138304   2.991372   2.510535
    17  H    2.728540   4.628086   4.545533   3.792534   2.502695
    18  H    3.481975   4.141418   3.039330   3.238382   2.482387
    19  H    2.806574   4.163722   3.469579   2.628981   3.059843
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.962347   0.000000
    13  H    3.451806   1.635838   0.000000
    14  H    5.934566   4.851668   4.200493   0.000000
    15  H    5.813757   4.105235   4.083923   1.764728   0.000000
    16  H    5.582674   3.430631   2.999894   1.772053   1.766167
    17  H    4.855189   5.474300   4.822226   2.533317   3.040056
    18  H    3.304678   4.810941   4.279408   3.758710   3.783978
    19  H    4.588659   4.776803   4.664639   3.182354   2.597593
                   16         17         18         19
    16  H    0.000000
    17  H    3.745380   0.000000
    18  H    4.330840   1.761086   0.000000
    19  H    3.792310   1.764386   1.764500   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8491417           1.5403062           1.2504232
 Leave Link  202 at Sun Sep 26 19:50:07 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.3201849877 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0283059532 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.2918790346 Hartrees.
 Leave Link  301 at Sun Sep 26 19:50:08 2021, MaxMem=  6442450944 cpu:               5.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.67D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:50:09 2021, MaxMem=  6442450944 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:50:09 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer05_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:50:10 2021, MaxMem=  6442450944 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442300239 LenY=  6442226898
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.134956912221    
 DIIS: error= 2.59D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.134956912221     IErMin= 1 ErrMin= 2.59D-03
 ErrMax= 2.59D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.57D-03 BMatP= 8.57D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.59D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.243 Goal=   None    Shift=    0.000
 GapD=    0.243 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.08D-03 MaxDP=3.81D-01              OVMax= 2.03D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.93D-03    CP:  1.08D+00
 E= -402.142540159712     Delta-E=       -0.007583247490 Rises=F Damp=F
 DIIS: error= 7.53D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.142540159712     IErMin= 2 ErrMin= 7.53D-04
 ErrMax= 7.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-04 BMatP= 8.57D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.53D-03
 Coeff-Com:  0.542D-01 0.946D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.538D-01 0.946D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=3.21D-04 MaxDP=1.00D-02 DE=-7.58D-03 OVMax= 6.84D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.56D-04    CP:  1.08D+00  1.03D+00
 E= -402.142406282705     Delta-E=        0.000133877007 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.142540159712     IErMin= 2 ErrMin= 7.53D-04
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-04 BMatP= 4.00D-04
 IDIUse=3 WtCom= 2.34D-01 WtEn= 7.66D-01
 Coeff-Com: -0.150D-01 0.563D+00 0.452D+00
 Coeff-En:   0.000D+00 0.577D+00 0.423D+00
 Coeff:     -0.352D-02 0.574D+00 0.430D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=1.59D-04 MaxDP=1.27D-02 DE= 1.34D-04 OVMax= 3.68D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.97D-05    CP:  1.08D+00  1.04D+00  6.41D-01
 E= -402.142863731314     Delta-E=       -0.000457448609 Rises=F Damp=F
 DIIS: error= 1.77D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.142863731314     IErMin= 4 ErrMin= 1.77D-04
 ErrMax= 1.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-05 BMatP= 4.00D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.77D-03
 Coeff-Com: -0.103D-01 0.294D+00 0.242D+00 0.474D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.102D-01 0.293D+00 0.242D+00 0.475D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=3.11D-05 MaxDP=1.77D-03 DE=-4.57D-04 OVMax= 8.65D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.71D-05    CP:  1.08D+00  1.04D+00  6.09D-01  1.05D+00
 E= -402.142874010461     Delta-E=       -0.000010279146 Rises=F Damp=F
 DIIS: error= 4.19D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.142874010461     IErMin= 5 ErrMin= 4.19D-05
 ErrMax= 4.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-06 BMatP= 1.32D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.378D-02 0.859D-01 0.721D-01 0.257D+00 0.589D+00
 Coeff:     -0.378D-02 0.859D-01 0.721D-01 0.257D+00 0.589D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=8.65D-06 MaxDP=2.87D-04 DE=-1.03D-05 OVMax= 4.69D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.42D-06    CP:  1.08D+00  1.04D+00  6.09D-01  1.05D+00  9.37D-01
 E= -402.142874754895     Delta-E=       -0.000000744435 Rises=F Damp=F
 DIIS: error= 2.16D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.142874754895     IErMin= 6 ErrMin= 2.16D-05
 ErrMax= 2.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-07 BMatP= 1.41D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.533D-03 0.127D-02 0.190D-02 0.800D-01 0.410D+00 0.507D+00
 Coeff:     -0.533D-03 0.127D-02 0.190D-02 0.800D-01 0.410D+00 0.507D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=4.52D-06 MaxDP=2.70D-04 DE=-7.44D-07 OVMax= 1.74D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.68D-06    CP:  1.08D+00  1.04D+00  6.12D-01  1.06D+00  9.36D-01
                    CP:  6.94D-01
 E= -402.142875127987     Delta-E=       -0.000000373092 Rises=F Damp=F
 DIIS: error= 3.12D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.142875127987     IErMin= 7 ErrMin= 3.12D-06
 ErrMax= 3.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-09 BMatP= 4.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.581D-04-0.316D-02-0.229D-02 0.208D-01 0.146D+00 0.209D+00
 Coeff-Com:  0.629D+00
 Coeff:     -0.581D-04-0.316D-02-0.229D-02 0.208D-01 0.146D+00 0.209D+00
 Coeff:      0.629D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=4.12D-05 DE=-3.73D-07 OVMax= 1.65D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.26D-07    CP:  1.08D+00  1.04D+00  6.12D-01  1.07D+00  9.51D-01
                    CP:  6.75D-01  8.90D-01
 E= -402.142875133078     Delta-E=       -0.000000005091 Rises=F Damp=F
 DIIS: error= 1.08D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.142875133078     IErMin= 8 ErrMin= 1.08D-06
 ErrMax= 1.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-10 BMatP= 6.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.944D-05-0.138D-02-0.108D-02 0.267D-02 0.324D-01 0.530D-01
 Coeff-Com:  0.290D+00 0.625D+00
 Coeff:      0.944D-05-0.138D-02-0.108D-02 0.267D-02 0.324D-01 0.530D-01
 Coeff:      0.290D+00 0.625D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=2.43D-07 MaxDP=1.19D-05 DE=-5.09D-09 OVMax= 6.46D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.04D-07    CP:  1.08D+00  1.04D+00  6.12D-01  1.07D+00  9.51D-01
                    CP:  6.82D-01  8.88D-01  8.98D-01
 E= -402.142875133683     Delta-E=       -0.000000000604 Rises=F Damp=F
 DIIS: error= 2.41D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.142875133683     IErMin= 9 ErrMin= 2.41D-07
 ErrMax= 2.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-11 BMatP= 6.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-04-0.269D-03-0.223D-03-0.975D-03-0.628D-03 0.112D-02
 Coeff-Com:  0.529D-01 0.248D+00 0.700D+00
 Coeff:      0.106D-04-0.269D-03-0.223D-03-0.975D-03-0.628D-03 0.112D-02
 Coeff:      0.529D-01 0.248D+00 0.700D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=1.59D-05 DE=-6.04D-10 OVMax= 2.02D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.34D-08    CP:  1.08D+00  1.04D+00  6.12D-01  1.07D+00  9.52D-01
                    CP:  6.85D-01  9.11D-01  9.11D-01  7.43D-01
 E= -402.142875133727     Delta-E=       -0.000000000044 Rises=F Damp=F
 DIIS: error= 9.14D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.142875133727     IErMin=10 ErrMin= 9.14D-08
 ErrMax= 9.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-12 BMatP= 4.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.421D-05-0.620D-04-0.518D-04-0.612D-03-0.170D-02-0.197D-02
 Coeff-Com:  0.136D-01 0.965D-01 0.354D+00 0.540D+00
 Coeff:      0.421D-05-0.620D-04-0.518D-04-0.612D-03-0.170D-02-0.197D-02
 Coeff:      0.136D-01 0.965D-01 0.354D+00 0.540D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=2.53D-08 MaxDP=1.52D-06 DE=-4.42D-11 OVMax= 7.61D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.64D-08    CP:  1.08D+00  1.04D+00  6.12D-01  1.07D+00  9.52D-01
                    CP:  6.85D-01  9.10D-01  9.15D-01  7.77D-01  8.56D-01
 E= -402.142875133720     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 2.38D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.142875133727     IErMin=11 ErrMin= 2.38D-08
 ErrMax= 2.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-13 BMatP= 5.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.739D-06 0.262D-05 0.351D-05-0.165D-03-0.643D-03-0.110D-02
 Coeff-Com: -0.857D-03 0.103D-01 0.692D-01 0.243D+00 0.680D+00
 Coeff:      0.739D-06 0.262D-05 0.351D-05-0.165D-03-0.643D-03-0.110D-02
 Coeff:     -0.857D-03 0.103D-01 0.692D-01 0.243D+00 0.680D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=1.21D-06 DE= 6.82D-12 OVMax= 1.53D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.08D-09    CP:  1.08D+00  1.04D+00  6.12D-01  1.07D+00  9.52D-01
                    CP:  6.85D-01  9.11D-01  9.16D-01  7.82D-01  9.25D-01
                    CP:  9.12D-01
 E= -402.142875133718     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 5.40D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -402.142875133727     IErMin=12 ErrMin= 5.40D-09
 ErrMax= 5.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-14 BMatP= 3.71D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-07 0.596D-05 0.584D-05-0.293D-04-0.146D-03-0.338D-03
 Coeff-Com: -0.134D-02-0.246D-02 0.382D-02 0.660D-01 0.279D+00 0.655D+00
 Coeff:     -0.105D-07 0.596D-05 0.584D-05-0.293D-04-0.146D-03-0.338D-03
 Coeff:     -0.134D-02-0.246D-02 0.382D-02 0.660D-01 0.279D+00 0.655D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=2.00D-09 MaxDP=9.91D-08 DE= 1.82D-12 OVMax= 7.20D-08

 SCF Done:  E(RB3LYP) =  -402.142875134     A.U. after   12 cycles
            NFock= 12  Conv=0.20D-08     -V/T= 2.0104
 KE= 3.980130332666D+02 PE=-1.751412677860D+03 EE= 5.439648904251D+02
 Leave Link  502 at Sun Sep 26 19:51:10 2021, MaxMem=  6442450944 cpu:             475.2 elap:              59.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.35192943D+02

 Leave Link  801 at Sun Sep 26 19:51:10 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.87D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 2.30D-01 6.26D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 3.20D-02 2.67D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.94D-03 9.88D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 7.94D-05 2.41D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 2.08D-06 2.45D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 3.85D-08 3.05D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.76D-10 3.17D-06.
      9 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.18D-12 2.97D-07.
      4 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.57D-14 2.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   101 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.884589D+02
      2  0.318529D+01  0.796896D+02
      3  0.263760D+00  0.124144D+01  0.735704D+02
 Isotropic polarizability for W=    0.088559       80.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.744818D+02 -0.205016D+02  0.633649D+01
      2  -0.293541D+02  0.189670D+02  0.269585D+01
      3  -0.451277D+02  0.153461D+01 -0.903234D+01
      4  -0.240275D+02  0.651360D+02 -0.758769D+01
      5   0.178746D+01 -0.865036D+01  0.229519D+02
      6  -0.231408D+01 -0.155541D+01 -0.131060D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.110173D+01 -0.576114D+01  0.252826D+01
      2   0.274272D+01 -0.300797D+01  0.198807D+02
      3   0.677400D+01 -0.381973D+02  0.352021D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.106267D+01 -0.425126D+01  0.146406D+02
      2   0.454903D+01 -0.527361D+01  0.680796D+02
      3  -0.352590D+01 -0.944901D+02  0.633628D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.954485D-02  0.791827D+00 -0.936230D+00
      2   0.791827D+00 -0.109161D+00  0.127786D+01
      3  -0.936230D+00  0.127786D+01 -0.470778D+00
 OR G Eigenvalues:    -2.2512     0.6605     1.0012  Iso=     0.1965
 Eigenvectors:
   (1)   0.479878  -0.573484   0.663953
   (2)   0.876537   0.345676  -0.334950
   (3)  -0.037424   0.742714   0.668562
 w=    0.088559 a.u., Optical Rotation Beta=      0.1965 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       85.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.30D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.09D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.45D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.06D-02 3.78D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 8.21D-04 4.60D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 4.85D-06 3.54D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 3.61D-08 2.14D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.28D-10 1.18D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 2.49D-13 4.39D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.94D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.94D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.85D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884589D+02  0.318529D+01  0.263760D+00
      2   0.318529D+01  0.796896D+02  0.124144D+01
      3   0.263760D+00  0.124144D+01  0.735704D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.110173D+01 -0.576114D+01  0.252826D+01
      2   0.274272D+01 -0.300797D+01  0.198807D+02
      3   0.677400D+01 -0.381973D+02  0.352021D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.744818D+02 -0.205016D+02  0.633649D+01
      2  -0.293541D+02  0.189670D+02  0.269585D+01
      3  -0.451277D+02  0.153461D+01 -0.903234D+01
      4  -0.240275D+02  0.651360D+02 -0.758769D+01
      5   0.178746D+01 -0.865036D+01  0.229519D+02
      6  -0.231408D+01 -0.155541D+01 -0.131060D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103736D+01  0.504163D+01 -0.328786D+01  0.430966D+01 -0.600423D+00
      2   0.504163D+01 -0.103341D+01  0.435486D+00 -0.600423D+00 -0.296540D+01
      3  -0.328786D+01  0.435486D+00 -0.924219D+00  0.325627D+00 -0.120685D+01
                 6             7             8             9            10 
      1   0.325627D+00 -0.372414D+01  0.564735D+00 -0.119942D+01  0.512354D+00
      2  -0.120685D+01  0.564735D+00 -0.191262D+01  0.298527D+01 -0.433924D+01
      3   0.214227D+01 -0.119942D+01  0.298527D+01  0.519186D+01  0.193854D+01
                11            12            13            14            15 
      1  -0.433924D+01  0.193854D+01 -0.603155D+01  0.889603D+00 -0.127693D+00
      2   0.155165D+01  0.201302D-01  0.889603D+00  0.468458D+01  0.720658D+00
      3   0.201302D-01  0.137610D+01 -0.127693D+00  0.720658D+00 -0.163064D+01
                16            17            18            19            20 
      1   0.385063D+01 -0.978671D-01  0.192293D+01 -0.920205D+00  0.447035D+01
      2  -0.978671D-01  0.130714D+01 -0.197202D+01  0.447035D+01 -0.219923D+00
      3   0.192293D+01 -0.197202D+01 -0.826838D+01 -0.259480D+01 -0.337861D+00
                21            22            23            24            25 
      1  -0.259480D+01  0.317801D+01 -0.190076D+01 -0.711439D+00 -0.293189D+01
      2  -0.337861D+00 -0.190076D+01 -0.471664D+01 -0.147305D+01  0.875760D-02
      3  -0.772797D+00 -0.711439D+00 -0.147305D+01  0.144145D+01 -0.135208D+01
                26            27            28            29            30 
      1   0.875760D-02 -0.135208D+01  0.498882D+00  0.538676D+00  0.391964D+01
      2  -0.180042D+01  0.101542D+01  0.538676D+00  0.372941D+01  0.161187D+01
      3   0.101542D+01  0.685789D+01  0.391964D+01  0.161187D+01  0.259838D+01
                31            32            33            34            35 
      1   0.192970D+01  0.153705D+01  0.179689D+01  0.580940D+01  0.229529D+01
      2   0.153705D+01  0.805322D+00  0.159541D+01  0.229529D+01  0.256479D+01
      3   0.179689D+01  0.159541D+01  0.117327D+01  0.180442D+01  0.386507D+00
                36            37            38            39            40 
      1   0.180442D+01  0.611601D+01  0.197335D+01 -0.142898D+01  0.283273D+01
      2   0.386507D+00  0.197335D+01  0.309730D+00 -0.123359D+01  0.440863D+00
      3   0.955739D-02 -0.142898D+01 -0.123359D+01  0.124595D+01 -0.146337D+01
                41            42            43            44            45 
      1   0.440863D+00 -0.146337D+01  0.168236D+00 -0.258920D+00 -0.504300D+00
      2   0.111744D+01  0.923047D+00 -0.258920D+00  0.250193D+01  0.323041D+00
      3   0.923047D+00  0.857349D+00 -0.504300D+00  0.323041D+00  0.484616D+01
                46            47            48            49            50 
      1  -0.264084D+00  0.368269D+01 -0.263795D+01  0.476208D+01 -0.142148D+01
      2   0.368269D+01 -0.385248D+00  0.486048D+00 -0.142148D+01 -0.574595D+01
      3  -0.263795D+01  0.486048D+00 -0.229360D+01  0.674711D+00 -0.140675D+01
                51            52            53            54            55 
      1   0.674711D+00 -0.467936D+01  0.388684D+00 -0.336523D+01  0.325960D+01
      2  -0.140675D+01  0.388684D+00 -0.147764D+01  0.155342D+01 -0.298902D+01
      3   0.186319D+01 -0.336523D+01  0.155342D+01  0.544858D+01  0.128511D+01
                56            57            58            59            60 
      1  -0.298902D+01  0.128511D+01 -0.101049D+01  0.266166D+01 -0.359134D+00
      2   0.237234D+01 -0.743037D+00  0.266166D+01  0.393510D+01  0.123664D+01
      3  -0.743037D+00  0.250009D+01 -0.359134D+00  0.123664D+01 -0.128317D+01
                61            62            63            64            65 
      1   0.187314D+01 -0.967801D+00  0.289782D+01 -0.748848D+01 -0.302302D+01
      2  -0.967801D+00  0.115070D+01 -0.125900D+01 -0.302302D+01 -0.369639D+01
      3   0.289782D+01 -0.125900D+01 -0.348033D+01 -0.432407D+01 -0.110784D+01
                66            67            68            69            70 
      1  -0.432407D+01 -0.352105D+01 -0.239616D+01 -0.123606D+01 -0.636811D+01
      2  -0.110784D+01 -0.239616D+01 -0.325919D+01 -0.279255D+01 -0.231116D+01
      3  -0.348436D+01 -0.123606D+01 -0.279255D+01 -0.194692D+01 -0.386083D+01
                71            72            73            74            75 
      1  -0.231116D+01 -0.386083D+01  0.631578D+00 -0.525649D+00 -0.862148D+00
      2  -0.454909D+01 -0.200975D+01 -0.525649D+00  0.421746D+00  0.385693D-01
      3  -0.200975D+01 -0.690833D+01 -0.862148D+00  0.385693D-01  0.923754D+00
                76            77            78            79            80 
      1  -0.686982D+00  0.228137D+00  0.663748D-01 -0.139776D+01  0.199181D+00
      2   0.228137D+00  0.454153D+00 -0.967770D+00  0.199181D+00 -0.137738D+01
      3   0.663748D-01 -0.967770D+00 -0.353130D+00  0.450151D+00  0.387828D-01
                81            82            83            84            85 
      1   0.450151D+00 -0.685318D+00  0.888833D+00  0.936758D+00  0.999549D+00
      2   0.387828D-01  0.888833D+00 -0.382605D+00 -0.354372D-01 -0.237603D+00
      3  -0.736665D+01  0.936758D+00 -0.354372D-01 -0.545969D+00 -0.268237D-01
                86            87            88            89            90 
      1  -0.237603D+00 -0.268237D-01  0.149954D+01 -0.106848D+00 -0.382746D+00
      2  -0.177950D+00  0.114123D+01 -0.106848D+00  0.172822D+01  0.859512D+00
      3   0.114123D+01  0.101723D+01 -0.382746D+00  0.859512D+00  0.835127D+01
                91            92            93            94            95 
      1  -0.833748D+01 -0.207146D+01  0.344237D+01 -0.281374D+01 -0.164042D+01
      2  -0.207146D+01 -0.141584D+01  0.885213D+00 -0.164042D+01 -0.101758D+01
      3   0.344237D+01  0.885213D+00 -0.276525D+01  0.131470D+01  0.969697D+00
                96            97            98            99           100 
      1   0.131470D+01  0.110311D+01  0.247916D+00 -0.120320D+01 -0.245953D+01
      2   0.969697D+00  0.247916D+00  0.412806D+00 -0.356814D+00  0.287111D+01
      3  -0.117635D+01 -0.120320D+01 -0.356814D+00  0.178811D+01 -0.124423D+01
               101           102           103           104           105 
      1   0.287111D+01 -0.124423D+01  0.236167D+01 -0.249337D+01  0.977186D+00
      2  -0.373756D+01  0.127316D+01 -0.249337D+01  0.500714D+01 -0.145193D+01
      3   0.127316D+01 -0.125364D+01  0.977186D+00 -0.145193D+01  0.128291D+01
               106           107           108           109           110 
      1  -0.206703D+01  0.172315D+01 -0.147697D+01 -0.287107D+00  0.873894D+00
      2   0.172315D+01 -0.316851D+01  0.195826D+01  0.873894D+00 -0.680404D+00
      3  -0.147697D+01  0.195826D+01 -0.186322D+01  0.470559D+00 -0.529355D+00
               111           112           113           114           115 
      1   0.470559D+00  0.576541D+00 -0.226830D+00 -0.421405D+00  0.136840D+01
      2  -0.529355D+00 -0.226830D+00  0.142740D+01  0.901337D+00 -0.627735D+00
      3  -0.954602D+00 -0.421405D+00  0.901337D+00  0.974979D+00 -0.113491D+01
               116           117           118           119           120 
      1  -0.627735D+00 -0.113491D+01  0.733307D+01 -0.173969D+01  0.247111D+01
      2   0.274417D+01  0.222367D+01 -0.173969D+01  0.126909D+01 -0.560750D+00
      3   0.222367D+01  0.544235D+01  0.247111D+01 -0.560750D+00  0.185532D+01
               121           122           123           124           125 
      1  -0.370162D+01  0.175714D+01 -0.856275D+00  0.440318D+01 -0.684132D+00
      2   0.175714D+01 -0.829071D+00  0.907106D+00 -0.684132D+00  0.115412D+01
      3  -0.856275D+00  0.907106D+00 -0.107397D+01  0.251559D+01 -0.809269D+00
               126           127           128           129           130 
      1   0.251559D+01  0.143501D+01 -0.374708D+00 -0.107949D+01 -0.110359D+01
      2  -0.809269D+00 -0.374708D+00  0.226591D+00  0.307633D-01  0.588561D+00
      3   0.164040D+01 -0.107949D+01  0.307633D-01  0.120041D+01  0.272587D+00
               131           132           133           134           135 
      1   0.588561D+00  0.272587D+00 -0.267154D+01 -0.856748D-01  0.275538D+01
      2   0.121337D+00 -0.823760D+00 -0.856748D-01 -0.127808D+01 -0.356017D+00
      3  -0.823760D+00 -0.999403D+00  0.275538D+01 -0.356017D+00 -0.704884D+01
               136           137           138           139           140 
      1   0.225202D+00  0.114861D+01  0.406801D+00  0.269746D+01  0.200691D+01
      2   0.114861D+01  0.101546D+01  0.568425D-01  0.200691D+01  0.803745D+01
      3   0.406801D+00  0.568425D-01  0.316380D+00  0.496313D-01  0.660665D+00
               141           142           143           144           145 
      1   0.496313D-01  0.847269D+00  0.172940D+00  0.792029D+00  0.447688D+01
      2   0.660665D+00  0.172940D+00  0.917459D+00  0.886846D+00 -0.322425D+01
      3   0.994714D+00  0.792029D+00  0.886846D+00 -0.771273D-01  0.183215D+01
               146           147           148           149           150 
      1  -0.322425D+01  0.183215D+01 -0.232273D+01  0.239792D+01 -0.849452D+00
      2   0.356690D+01 -0.112330D+01  0.239792D+01 -0.336068D+01  0.137597D+01
      3  -0.112330D+01  0.153218D+01 -0.849452D+00  0.137597D+01 -0.116095D+01
               151           152           153           154           155 
      1   0.228459D+01 -0.131937D+01  0.155954D+01 -0.526569D+01 -0.231200D+01
      2  -0.131937D+01  0.236884D+01 -0.174037D+01 -0.231200D+01 -0.327442D+01
      3   0.155954D+01 -0.174037D+01  0.137123D+01  0.138100D+01  0.692021D+00
               156           157           158           159           160 
      1   0.138100D+01 -0.193085D+01 -0.179879D+01  0.502368D+00  0.175591D+01
      2   0.692021D+00 -0.179879D+01 -0.247374D+01  0.860939D+00  0.577748D+00
      3  -0.107335D+01  0.502368D+00  0.860939D+00 -0.882105D+00 -0.887358D+00
               161           162           163           164           165 
      1   0.577748D+00 -0.887358D+00  0.181939D+00 -0.890097D+00 -0.624513D+00
      2   0.150600D+01 -0.120767D+01 -0.890097D+00  0.362891D+00  0.141065D+00
      3  -0.120767D+01  0.596618D+00 -0.624513D+00  0.141065D+00  0.519220D+00
               166           167           168           169           170 
      1  -0.524789D+00  0.207983D+00  0.715678D-01 -0.112357D+01  0.281103D+00
      2   0.207983D+00 -0.104373D+01 -0.117005D+01  0.281103D+00 -0.279244D+01
      3   0.715678D-01 -0.117005D+01 -0.124073D+01  0.669186D+00 -0.251981D+01
               171 
      1   0.669186D+00
      2  -0.251981D+01
      3  -0.653113D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.689181D+01  0.742729D+00 -0.165573D+01  0.490088D+00 -0.531796D+01
      2  -0.383348D+01  0.117543D+01  0.649481D+00  0.458924D+00 -0.105409D+01
      3  -0.961000D+01 -0.143268D+02  0.684913D+01 -0.808736D+01  0.537374D+01
                 6             7             8             9            10 
      1   0.279231D+01 -0.268890D+01  0.998298D+01  0.108182D+02 -0.403497D+00
      2   0.253657D+01 -0.342366D+01  0.362191D+01  0.633878D+01  0.268902D+01
      3   0.772516D+00  0.776047D+01  0.410207D+00 -0.151515D+01  0.771652D+01
                11            12            13            14            15 
      1  -0.172497D+00  0.351269D+00 -0.143262D+01  0.228694D+01 -0.321175D+01
      2  -0.195663D+00  0.499963D+01 -0.129256D+01  0.666321D+00 -0.197878D+01
      3  -0.314114D+01  0.104404D+00  0.290018D+01 -0.573306D+01 -0.126404D+01
                16            17            18            19            20 
      1   0.874899D+00  0.360655D+01 -0.249557D+01 -0.186250D+01 -0.217941D+01
      2  -0.150367D+01 -0.250426D+01 -0.111375D+02  0.408713D+01 -0.316718D+00
      3   0.210695D+01 -0.235962D+01  0.258809D+01 -0.303296D+01 -0.346992D+01
                21            22            23            24            25 
      1   0.299777D+00 -0.102146D+01  0.352734D+01  0.518217D+00  0.105719D+01
      2  -0.221954D+00  0.247798D+01 -0.528535D+00 -0.563612D+00 -0.714469D+01
      3   0.180553D-01 -0.100834D+01 -0.560944D+01  0.221270D+01 -0.313031D+01
                26            27            28            29            30 
      1   0.518944D+01 -0.323690D+01 -0.211006D+01 -0.464018D+01  0.379858D+01
      2  -0.102405D+00 -0.588560D+00 -0.422333D+01 -0.533817D+00 -0.100605D+01
      3   0.242877D+01 -0.106358D+01 -0.827060D+01  0.597041D+01  0.629115D+00
                31            32            33            34            35 
      1   0.155901D+01 -0.187877D+01 -0.945885D+01  0.117353D+01 -0.620727D+01
      2   0.289439D+01 -0.232539D+01 -0.667206D+01  0.108436D+01 -0.235252D+01
      3   0.218406D+02  0.158593D+02 -0.637662D+00 -0.154795D+01 -0.361848D+01
                36            37            38            39            40 
      1   0.424925D+01  0.120534D+01 -0.783920D+00  0.314444D+00 -0.650989D-01
      2  -0.286882D+01 -0.192488D+01  0.696432D+00 -0.338689D+00 -0.145546D+00
      3   0.546098D+00  0.320892D+01 -0.994687D+00 -0.140288D+01 -0.756244D-01
                41            42            43            44            45 
      1   0.533485D+00 -0.117041D+00 -0.226258D+00  0.514548D+01  0.240052D+00
      2  -0.328059D+01 -0.925616D+00 -0.763727D+01 -0.194905D+01 -0.804816D+01
      3  -0.687387D-01  0.302216D+01  0.561084D+00  0.410876D+01  0.914665D+00
                46            47            48            49            50 
      1   0.108860D+01  0.386757D+00  0.585751D+00  0.160551D+01  0.211182D+01
      2  -0.927498D+01  0.151721D+01 -0.547270D+01  0.280897D+01 -0.421935D+01
      3  -0.978446D+01  0.108269D+01 -0.233481D+01  0.103499D+02  0.182936D+02
                51            52            53            54            55 
      1  -0.247972D+01  0.140208D+01  0.134781D+01 -0.268449D+01 -0.112864D+01
      2   0.488174D+01 -0.140507D+02  0.396557D+01  0.152612D+02  0.106419D+01
      3   0.368801D+01 -0.415800D+01  0.481194D+01 -0.623413D+01  0.878266D+01
                56            57            58            59            60 
      1   0.414333D+01 -0.795394D+01  0.311109D+01 -0.418693D+01 -0.223658D+01
      2   0.207703D+01  0.460522D+01 -0.164822D+00  0.556957D+00  0.172864D+01
      3  -0.132879D+02  0.156853D+01  0.213729D+01  0.584350D+01 -0.320480D+01
                61            62            63            64            65 
      1  -0.748435D+01  0.853943D+01  0.839574D+01  0.274049D+01  0.766482D+01
      2  -0.159089D+01  0.456846D+00 -0.122170D+01 -0.280298D+00  0.365490D-01
      3   0.402883D+01 -0.271274D+01  0.715988D+01  0.270836D+01 -0.760607D+01
                66            67            68            69            70 
      1  -0.298233D+01 -0.307770D-01  0.337354D+01 -0.126848D+01  0.116501D+01
      2   0.942859D+01 -0.361281D+01  0.441510D+01  0.551505D+01 -0.276100D+01
      3  -0.369477D+00 -0.367750D+01 -0.895287D+01 -0.263166D+01  0.343650D+00
                71            72            73            74            75 
      1   0.956718D+01 -0.211685D+01  0.928805D+00 -0.331849D+00 -0.455066D+00
      2   0.297422D+01  0.115524D+02  0.610489D+00 -0.607950D+00  0.922696D+00
      3  -0.172703D+01 -0.196414D+01  0.668091D+00 -0.639543D+00 -0.565605D+00
                76            77            78            79            80 
      1  -0.299072D-01  0.197172D+00 -0.363643D+00 -0.674157D+00  0.330520D+01
      2  -0.803899D+00  0.361199D+00 -0.486394D-01 -0.375883D+01  0.285175D+00
      3   0.120604D+01 -0.729830D-01 -0.168989D+00 -0.418105D+00  0.794769D-01
                81            82            83            84            85 
      1   0.350632D+01  0.100694D+01 -0.589126D+00 -0.137983D+00 -0.196023D+00
      2   0.842344D+00  0.213411D+01 -0.585690D+00 -0.456340D+00 -0.108996D+01
      3  -0.685451D-01 -0.953273D+00 -0.711262D+00 -0.278051D+00  0.127759D+01
                86            87            88            89            90 
      1   0.625407D+00 -0.338714D+00 -0.681746D+00  0.402922D+01  0.230830D+01
      2   0.181433D+01  0.123355D+01 -0.481144D+01  0.153099D+01  0.104594D+02
      3   0.119355D+00 -0.118306D+01 -0.213371D+00 -0.173246D+01 -0.680113D+00
                91            92            93            94            95 
      1  -0.697180D+00 -0.168301D+01 -0.783248D+00 -0.114337D+01 -0.154719D+01
      2   0.136759D+01 -0.533868D-01  0.449059D+01  0.270623D+00 -0.353340D+00
      3  -0.138319D+01 -0.399209D+01  0.748128D+00 -0.171045D+01 -0.283895D+01
                96            97            98            99           100 
      1  -0.392075D+00  0.718300D+00  0.933725D+00 -0.297647D+00  0.276978D+01
      2   0.206286D+01 -0.540417D+00 -0.777795D-02 -0.120425D+01 -0.155937D+01
      3   0.111181D+01  0.645527D+00  0.936533D+00 -0.473664D+00 -0.726565D+01
               101           102           103           104           105 
      1  -0.265387D+01  0.418485D+01 -0.268196D+01  0.234583D+01 -0.361778D+01
      2  -0.223934D+00  0.790596D+00  0.235984D+00  0.106629D+00 -0.784235D+00
      3   0.489447D+01 -0.317890D+01  0.763915D+01 -0.539683D+01  0.289496D+01
               106           107           108           109           110 
      1   0.361662D+01 -0.266254D+01  0.387519D+01 -0.164280D+01  0.809990D+00
      2  -0.120913D+01 -0.331405D+00  0.519546D+00  0.789293D+00  0.550516D-01
      3  -0.613955D+01  0.385620D+01 -0.406749D+01 -0.108748D+01  0.703993D+00
               111           112           113           114           115 
      1   0.353394D+01  0.842351D+00 -0.287206D+01 -0.271284D+01  0.319783D+01
      2  -0.214255D+00  0.183806D+00 -0.946398D-01 -0.110007D+00 -0.264979D+01
      3   0.102412D+01  0.150083D+01 -0.113768D+01 -0.109824D+01  0.372398D+01
               116           117           118           119           120 
      1  -0.377968D+01 -0.140478D+02 -0.585144D+00  0.663373D+00 -0.133668D-01
      2   0.309644D+00  0.663038D+00  0.649188D+01 -0.198448D+01  0.781012D+01
      3  -0.158583D+01 -0.360541D+01  0.704780D+01 -0.658347D+01  0.290198D+01
               121           122           123           124           125 
      1  -0.117755D+00 -0.790443D+00 -0.528603D+00 -0.296700D+00  0.169449D+01
      2  -0.227574D+01  0.256018D+01 -0.419732D+01  0.570529D+01 -0.263634D+01
      3  -0.465185D+01  0.405708D+01 -0.275695D+01  0.343006D+01 -0.475282D+01
               126           127           128           129           130 
      1  -0.625245D-01  0.585510D+00 -0.301940D+00 -0.724030D+00  0.492748D-01
      2   0.533474D+01 -0.277899D+01  0.683858D-02  0.459524D+01  0.172141D+00
      3   0.330702D+01  0.151639D+01 -0.171860D+01 -0.628331D+00 -0.846757D+00
               131           132           133           134           135 
      1   0.692399D+00 -0.287860D+00 -0.925111D+00  0.330786D+01  0.301718D+01
      2  -0.210575D+01 -0.282838D+01  0.401263D+01 -0.134870D+01 -0.203676D+02
      3   0.317514D-01  0.190202D+01 -0.550424D+00  0.429307D+01  0.259311D+01
               136           137           138           139           140 
      1  -0.207582D+00 -0.364206D+00 -0.530058D+00 -0.239641D+00 -0.860044D+00
      2   0.133259D+01 -0.705774D-01  0.118526D+01 -0.222967D+00  0.215983D+01
      3  -0.371387D+01 -0.185469D+01  0.616129D-01  0.974930D+00 -0.236153D+02
               141           142           143           144           145 
      1  -0.282273D+01 -0.795569D+00  0.320195D+00  0.828279D-02  0.354332D+01
      2   0.347606D+01  0.425462D+00  0.224371D+01 -0.356267D+00  0.108911D+01
      3  -0.196689D+01  0.421883D+00 -0.263343D+01 -0.141459D+01 -0.639597D+01
               146           147           148           149           150 
      1  -0.122975D+01  0.440178D+01 -0.170894D+01  0.216449D+01 -0.357144D+01
      2  -0.119141D+01  0.345943D+01 -0.431395D+00  0.144407D+01 -0.211502D+01
      3  -0.320766D+00 -0.258352D+01  0.440001D+01 -0.561000D+00  0.410010D+00
               151           152           153           154           155 
      1   0.307001D+01 -0.163435D+01  0.281392D+01  0.284941D+01  0.457245D+00
      2   0.346974D+00 -0.203905D+01  0.192466D+01  0.297285D+01  0.631885D+00
      3  -0.434045D+01 -0.825011D+00 -0.940555D+00  0.171509D+02  0.579820D+01
               156           157           158           159           160 
      1  -0.329513D+01  0.656859D+00  0.115156D+01 -0.267163D+01 -0.220512D+01
      2   0.396369D+00  0.760621D+00  0.108141D+01  0.148373D-01 -0.258214D+01
      3  -0.395309D+01  0.812333D+01  0.538527D+01 -0.203126D+01 -0.515091D+01
               161           162           163           164           165 
      1  -0.901173D+00  0.109429D+01 -0.118898D+01  0.615182D-01  0.106049D+01
      2  -0.994477D+00  0.288021D+00 -0.620580D+00  0.188510D+00  0.116194D+01
      3  -0.203772D+01  0.305907D+01  0.110474D+01  0.351667D+00  0.768389D+00
               166           167           168           169           170 
      1   0.221006D+00 -0.217790D+01 -0.401597D+01  0.129547D+01 -0.193906D+01
      2  -0.223737D+00 -0.120434D+01 -0.122564D+01 -0.214044D+01 -0.271417D+01
      3   0.193735D+01  0.615318D+00  0.106110D+01  0.262664D+01  0.306019D+01
               171 
      1  -0.147637D+02
      2  -0.752293D+01
      3   0.185942D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100168D+02  0.121639D+02 -0.770237D+01  0.912594D+01 -0.109390D+02
      2  -0.174471D+02 -0.500756D+01  0.323236D+01 -0.303197D+01  0.146542D+02
      3   0.743035D+01 -0.715635D+01  0.447000D+01 -0.609398D+01 -0.371520D+01
      4   0.821051D+01 -0.205177D+02  0.132968D+02 -0.179757D+02 -0.240485D+01
      5  -0.727258D+01  0.628373D+01 -0.493065D+01  0.428961D+01 -0.370778D+01
      6   0.161614D+02 -0.175542D+01  0.399317D+01 -0.195295D+01  0.820102D+01
                 6             7             8             9            10 
      1  -0.857981D+00 -0.838131D+01 -0.224307D-01  0.508138D+01 -0.112074D+02
      2   0.553927D+01  0.209284D+01  0.669219D+01 -0.538947D+01  0.862999D+01
      3  -0.468129D+01  0.628847D+01 -0.666976D+01  0.308086D+00  0.257744D+01
      4  -0.418901D+01  0.127967D+02 -0.623647D+01  0.100471D+02 -0.129840D+02
      5   0.569028D+01 -0.621493D+01  0.789858D+01  0.123356D+02  0.539462D+01
      6  -0.896003D+01  0.520290D+01 -0.136743D+02 -0.192172D+02 -0.253861D+01
                11            12            13            14            15 
      1  -0.133891D+02  0.335486D+01 -0.169939D+02  0.969434D+01  0.189030D+01
      2   0.707671D+01 -0.420899D+01  0.104121D+02 -0.102942D+02  0.150218D+00
      3   0.631235D+01  0.854123D+00  0.658186D+01  0.599856D+00 -0.204052D+01
      4   0.517413D+01 -0.122101D+01  0.634644D+01  0.860986D+01  0.176321D+01
      5  -0.249810D+00  0.326441D+01 -0.487246D+00  0.168587D+01 -0.441071D+01
      6   0.342076D+00 -0.144217D+01  0.938958D+00 -0.258087D+01  0.533135D+00
                16            17            18            19            20 
      1   0.917370D+01  0.269732D+01  0.987098D+01 -0.145779D+02 -0.396689D+01
      2  -0.509208D+01 -0.152648D+00  0.580751D+01  0.140199D+02  0.585783D+01
      3  -0.408162D+01 -0.254468D+01 -0.156785D+02  0.557948D+00 -0.189095D+01
      4  -0.164259D+01  0.177236D+01 -0.437188D+01  0.665703D+00  0.129781D+01
      5   0.863535D+01 -0.383918D+01 -0.198146D+02  0.804637D+01  0.159010D+01
      6  -0.633930D+00  0.509305D+01  0.226345D+00  0.204991D+01 -0.226348D+00
                21            22            23            24            25 
      1   0.342780D+01  0.751099D+01  0.118023D+02  0.626535D+01 -0.391542D+01
      2  -0.361384D+01 -0.775643D+01 -0.208251D+02 -0.364796D+01 -0.200849D+00
      3   0.186043D+00  0.245435D+00  0.902280D+01 -0.261739D+01  0.411627D+01
      4   0.270405D+01 -0.104388D+02  0.162921D+00  0.211927D+01  0.166870D+01
      5  -0.132886D+01  0.518760D+01  0.529106D+01 -0.963374D+00  0.633098D+00
      6  -0.234752D+00  0.236871D+01 -0.371772D+00 -0.281002D+01 -0.105958D+00
                26            27            28            29            30 
      1   0.358132D+01  0.605913D+01 -0.767313D+01 -0.307240D+01 -0.862902D+01
      2  -0.389203D+01  0.855349D+01  0.105678D+02  0.542948D+01  0.752485D+01
      3   0.310716D+00 -0.146126D+02 -0.289464D+01 -0.235708D+01  0.110417D+01
      4  -0.228568D+01  0.190590D+00 -0.387007D+01 -0.474180D+01 -0.736101D+01
      5   0.780222D+00  0.271226D+01 -0.207456D+02 -0.884188D+01 -0.182263D+02
      6   0.252167D+01  0.662656D+01 -0.579318D+01 -0.408470D+01 -0.543986D+01
                31            32            33            34            35 
      1  -0.521156D+01 -0.557946D+01 -0.438368D+01 -0.249065D+02 -0.101944D+02
      2   0.291165D+01  0.831350D+01  0.606318D+01  0.116111D+02  0.167982D+01
      3   0.229991D+01 -0.273405D+01 -0.167950D+01  0.132954D+02  0.851456D+01
      4   0.387944D+01 -0.930219D+01 -0.289853D+01 -0.152402D+02 -0.654607D+01
      5  -0.124363D+02 -0.677728D+01 -0.105889D+02 -0.176747D+02 -0.209911D+01
      6  -0.193417D+01 -0.565999D+01  0.532058D+00 -0.538266D-01 -0.863283D+01
                36            37            38            39            40 
      1  -0.112497D+01 -0.204060D+02 -0.773407D+01  0.635018D+01 -0.127625D+02
      2   0.669245D+01  0.917922D+01  0.273310D+01 -0.249719D+01  0.780697D+01
      3  -0.556748D+01  0.112267D+02  0.500097D+01 -0.385299D+01  0.495555D+01
      4  -0.199049D+01 -0.130852D+02 -0.829403D+00  0.669872D+01 -0.819709D+00
      5  -0.500752D+01  0.137347D+02  0.906711D+01 -0.233656D+00  0.102894D+02
      6  -0.298955D+01  0.641805D+01  0.129802D+01 -0.241976D+01  0.211381D+01
                41            42            43            44            45 
      1  -0.605473D+01  0.583506D+01  0.364874D+01  0.185068D+00 -0.134362D+02
      2   0.481793D+01 -0.483726D+01  0.379841D+01  0.449076D+01 -0.106789D+02
      3   0.123680D+01 -0.997798D+00 -0.744715D+01 -0.467583D+01  0.241151D+02
      4  -0.378226D+01 -0.404962D+01  0.617404D+01 -0.290525D+01 -0.428486D+01
      5  -0.265152D+01 -0.461931D+01  0.896626D+01 -0.349538D+01 -0.201156D+02
      6   0.150833D+01  0.579080D+01 -0.303605D+01  0.819032D+01 -0.139696D+01
                46            47            48            49            50 
      1  -0.124838D+01  0.218718D+02 -0.175956D+02  0.265801D+02 -0.402964D+01
      2   0.121356D+01 -0.132174D+02  0.840341D+01 -0.173929D+02 -0.439059D+01
      3   0.348211D-01 -0.865434D+01  0.919220D+01 -0.918725D+01  0.842023D+01
      4   0.225063D+02 -0.272087D+01  0.258134D+01 -0.772501D+01 -0.264670D+02
      5  -0.200433D+02  0.335146D+01 -0.134228D+02  0.467290D+01 -0.922528D+01
      6   0.108641D+00 -0.327934D+00  0.524832D+00 -0.161746D+01 -0.229960D+01
                51            52            53            54            55 
      1   0.609114D+01 -0.241124D+02  0.369231D+01 -0.128985D+02  0.175140D+02
      2  -0.329492D+01  0.996656D+01 -0.179396D+01  0.148774D+02 -0.164889D+02
      3  -0.279622D+01  0.141458D+02 -0.189835D+01 -0.197888D+01 -0.102508D+01
      4  -0.728072D+01  0.391582D+01 -0.618817D+01  0.808606D+01  0.104536D+02
      5   0.107351D+02 -0.212842D+02  0.891976D+01  0.285743D+02 -0.255827D+01
      6   0.107721D+01  0.176721D+00 -0.973883D+00  0.160919D+01  0.533833D+01
                56            57            58            59            60 
      1  -0.375819D+01  0.352318D+00 -0.655011D+01 -0.170589D+02 -0.454363D+01
      2   0.868793D+01 -0.273057D+01  0.131463D+02  0.287903D+02  0.561390D+01
      3  -0.492974D+01  0.237825D+01 -0.659615D+01 -0.117314D+02 -0.107028D+01
      4  -0.581633D+01  0.394910D+01  0.146292D+01  0.123093D+02 -0.442208D+01
      5   0.253443D+01  0.101113D+01 -0.414693D+00 -0.395081D+01  0.243121D+01
      6  -0.490875D+01  0.123910D+02 -0.542082D+01  0.627305D+01  0.437526D+00
                61            62            63            64            65 
      1   0.248961D+01 -0.498761D+00  0.315801D+01  0.396101D+02  0.105677D+02
      2  -0.326933D+01  0.511916D+01 -0.321480D+01 -0.270180D+02 -0.732684D+01
      3   0.779721D+00 -0.462040D+01  0.567886D-01 -0.125921D+02 -0.324089D+01
      4   0.486342D+01 -0.379179D+01  0.101881D+02  0.129608D+02  0.150488D+02
      5   0.119695D+01  0.356112D+01  0.551184D+00  0.288686D+02  0.709055D+01
      6   0.137032D+02 -0.387981D+01 -0.135192D+02  0.544931D+01  0.681269D+01
                66            67            68            69            70 
      1   0.130046D+02  0.554396D+01  0.953986D+00 -0.522481D+00  0.205740D+02
      2  -0.123896D+02 -0.110815D+01  0.510974D+01 -0.223300D+00 -0.191306D+02
      3  -0.615009D+00 -0.443581D+01 -0.606373D+01  0.745781D+00 -0.144338D+01
      4   0.682165D+01  0.166896D+02  0.172401D+02  0.111940D+02  0.981406D+01
      5   0.276698D+02  0.910993D+01  0.129938D+02  0.113080D+02  0.288167D+02
      6   0.503669D+01  0.485024D+01  0.907226D+01  0.113684D+02  0.539354D+01
                71            72            73            74            75 
      1   0.575117D+01  0.103707D+01  0.109234D+01 -0.177424D+00 -0.147144D+00
      2  -0.689650D+01 -0.150025D+02 -0.408976D+01  0.108145D+00  0.143226D+01
      3   0.114532D+01  0.139654D+02  0.299742D+01  0.692796D-01 -0.128512D+01
      4   0.110676D+02  0.746544D+01  0.612591D+00  0.148872D+01 -0.128667D+01
      5   0.977648D+01  0.346807D+02 -0.249998D+01 -0.394597D+00  0.637275D+01
      6   0.125520D+02  0.905841D+01 -0.129645D+01 -0.714645D+00  0.997619D+00
                76            77            78            79            80 
      1   0.215069D+00 -0.431166D+01 -0.515717D+00  0.500371D+00  0.155686D+01
      2   0.119342D+00  0.151105D+01 -0.142265D+01  0.203456D+01 -0.209878D+01
      3  -0.334411D+00  0.280061D+01  0.193837D+01 -0.253493D+01  0.541921D+00
      4   0.182046D+01 -0.399873D+00 -0.546595D+00 -0.608320D+00  0.214354D-01
      5  -0.617768D-01 -0.100503D+01 -0.584482D+00  0.425625D+01  0.344568D+00
      6  -0.584109D+00 -0.202617D+00  0.580030D+01  0.237552D+00  0.384063D+01
                81            82            83            84            85 
      1  -0.153610D+02  0.141557D+01  0.227327D+01  0.277577D+01  0.280382D+01
      2  -0.140037D+02 -0.405549D+01 -0.876643D+00  0.862633D-01 -0.163539D+01
      3   0.293647D+02  0.263992D+01 -0.139663D+01 -0.286203D+01 -0.116843D+01
      4   0.870539D+00  0.230078D+01  0.692201D+00  0.141572D+00  0.110700D+01
      5  -0.309425D+01  0.895450D+00  0.193062D+00  0.466102D+01  0.619652D-01
      6  -0.751164D+01  0.689035D-01 -0.336012D+00 -0.301627D+00 -0.248906D+00
                86            87            88            89            90 
      1  -0.468234D+01 -0.139942D+01  0.456924D+01 -0.582717D+00 -0.165930D+02
      2   0.132342D+01 -0.126128D+01 -0.170657D+01 -0.250760D+01 -0.148517D+02
      3   0.335892D+01  0.266070D+01 -0.286267D+01  0.309032D+01  0.314446D+02
      4  -0.416769D+00  0.215976D+01  0.423829D+00  0.316263D+01  0.242238D+01
      5   0.237529D+01  0.206479D+01  0.271118D+01  0.179743D+01  0.179093D+02
      6   0.183516D+01  0.661903D+01  0.695749D-01  0.362957D+01  0.656215D-01
                91            92            93            94            95 
      1   0.395032D+02  0.877025D+01 -0.135971D+02  0.102521D+02  0.498971D+01
      2  -0.229012D+02 -0.446948D+01  0.100674D+02 -0.457688D+01 -0.102517D+01
      3  -0.166019D+02 -0.430077D+01  0.352977D+01 -0.567518D+01 -0.396454D+01
      4   0.119853D+02  0.800487D+01 -0.498519D+01  0.112030D+02  0.648376D+01
      5  -0.264088D+02 -0.681065D+01  0.168258D+02 -0.947753D+01 -0.604659D+01
      6  -0.589434D+01 -0.362391D+01  0.333541D+01 -0.454318D+01 -0.306426D+01
                96            97            98            99           100 
      1  -0.423684D+01 -0.158390D+01  0.300364D-03  0.275085D+01 -0.237209D+01
      2   0.297026D+01  0.393713D+01  0.826278D+00 -0.473519D+01  0.870316D+01
      3   0.126658D+01 -0.235323D+01 -0.826578D+00  0.198435D+01 -0.633108D+01
      4  -0.489580D+01 -0.115431D+01 -0.129502D+01  0.172536D+01 -0.123343D+02
      5   0.650059D+01  0.868636D+01  0.224030D+01 -0.921779D+01  0.368027D+01
      6   0.357551D+01  0.149787D+01  0.172681D+01 -0.200430D+01 -0.726829D+01
               101           102           103           104           105 
      1   0.728397D+01 -0.212672D+01  0.466315D+01 -0.122029D+02  0.364907D+01
      2  -0.151944D+02  0.423311D+01 -0.103323D+02  0.221375D+02 -0.661896D+01
      3   0.791040D+01 -0.210639D+01  0.566920D+01 -0.993456D+01  0.296989D+01
      4   0.168200D+02 -0.659775D+01  0.132033D+02 -0.136601D+02  0.534750D+01
      5  -0.355921D+01  0.388919D+01 -0.164147D+01  0.302034D+01 -0.192310D+01
      6   0.869024D+01 -0.761417D+01  0.657864D+01 -0.982774D+01  0.798608D+01
               106           107           108           109           110 
      1  -0.364099D+01  0.736768D+01 -0.592586D+01 -0.190856D+01  0.177380D+01
      2   0.500055D+01 -0.101333D+02  0.525310D+01  0.250669D+01 -0.273963D+01
      3  -0.135956D+01  0.276562D+01  0.672766D+00 -0.598134D+00  0.965833D+00
      4  -0.842933D+01  0.833081D+01 -0.711823D+01 -0.162196D+01  0.488617D+01
      5   0.400093D+01 -0.357559D+01  0.362275D+01 -0.124423D+01  0.111567D+01
      6  -0.823077D+01  0.123944D+02 -0.996117D+01  0.185673D+01 -0.329571D+01
               111           112           113           114           115 
      1   0.164594D+01  0.498582D+00 -0.474527D+01 -0.259205D+01  0.136694D+01
      2  -0.149753D+01 -0.964705D+00  0.638232D+01  0.375046D+01 -0.128692D+01
      3  -0.148406D+00  0.466123D+00 -0.163705D+01 -0.115841D+01 -0.800195D-01
      4   0.232655D+01  0.366912D+01 -0.197965D+01 -0.229924D+01  0.478964D+01
      5   0.262399D+01  0.288651D+00 -0.124452D+01 -0.100818D+01  0.240395D+01
      6  -0.525832D+01 -0.259196D+01  0.438572D+01  0.703484D+01 -0.542370D+01
               116           117           118           119           120 
      1  -0.833121D+01 -0.101667D+02  0.533490D+02 -0.114324D+02  0.164552D+02
      2   0.891960D+01  0.267492D+01 -0.291896D+02  0.604239D+01 -0.973136D+01
      3  -0.588387D+00  0.749177D+01 -0.241593D+02  0.538998D+01 -0.672381D+01
      4  -0.382550D+01 -0.427460D+01 -0.113570D+02  0.102740D+02 -0.379382D+01
      5  -0.178247D+01 -0.373551D+01  0.195084D+02 -0.450203D+01  0.154730D+02
      6   0.117847D+02  0.244280D+02 -0.393213D+00  0.703583D+00 -0.679580D-01
               121           122           123           124           125 
      1  -0.220791D+02  0.803120D+01 -0.507673D+01  0.251538D+02 -0.364636D+01
      2   0.119421D+02 -0.201649D+01  0.301271D+01 -0.154461D+02  0.238927D+01
      3   0.101370D+02 -0.601472D+01  0.206402D+01 -0.970768D+01  0.125708D+01
      4   0.131511D+02 -0.743752D+01  0.589353D+01 -0.484595D+01  0.742522D+01
      5  -0.710536D+01  0.607167D+01 -0.785869D+01  0.197346D+02 -0.571934D+01
      6   0.157026D+01 -0.152990D+01  0.186109D+01 -0.781898D+00  0.219318D+01
               126           127           128           129           130 
      1   0.120819D+02  0.885404D+01 -0.252294D+01 -0.599481D+01 -0.616312D+01
      2  -0.108844D+02 -0.745440D+01  0.178315D+01  0.502858D+01  0.413590D+01
      3  -0.119753D+01 -0.139964D+01  0.739795D+00  0.966233D+00  0.202722D+01
      4  -0.497392D+01 -0.216745D+01  0.241157D+01  0.692374D-01  0.441086D+01
      5   0.132051D+02 -0.750608D+01  0.448786D+00  0.122900D+02  0.213205D+01
      6  -0.130020D+01  0.624311D-01 -0.106415D+00  0.618710D+00 -0.155561D+01
               131           132           133           134           135 
      1   0.320074D+00 -0.171679D-01 -0.125834D+02 -0.966133D+00  0.339422D+01
      2  -0.144595D+00 -0.129997D+01  0.115109D+02 -0.246282D+00 -0.176852D+02
      3  -0.175478D+00  0.131714D+01  0.107245D+01  0.121241D+01  0.142910D+02
      4   0.471965D+00 -0.475550D+01 -0.775733D+00 -0.715817D+01 -0.266956D+01
      5  -0.435487D+01 -0.558272D+01  0.206983D+02 -0.253230D+01 -0.411132D+02
      6   0.127861D+01  0.402048D+01  0.338222D+00  0.427728D+01 -0.179816D+01
               136           137           138           139           140 
      1   0.181809D+01  0.401283D+01  0.246864D+01  0.117297D+02 -0.735483D+00
      2   0.202815D+01  0.480098D+00 -0.112832D+01 -0.297761D+01  0.157187D+02
      3  -0.384624D+01 -0.449293D+01 -0.134032D+01 -0.875207D+01 -0.149832D+02
      4   0.510454D+01  0.100995D+02  0.553745D+00  0.164196D+02  0.411828D+02
      5   0.243342D+01  0.199333D+00  0.249539D+01  0.254277D+00  0.461532D+01
      6   0.275484D+00 -0.100958D+00  0.557110D+00  0.778562D+00  0.218864D+01
               141           142           143           144           145 
      1  -0.910001D+00  0.448862D+01 -0.802852D+00  0.926838D+00  0.133409D+02
      2   0.160625D+01 -0.204636D+01  0.110228D+01 -0.813833D+00  0.122325D+01
      3  -0.696248D+00 -0.244226D+01 -0.299427D+00 -0.113005D+00 -0.145642D+02
      4   0.370063D+01  0.116457D+01  0.437556D+01  0.431087D+01 -0.267410D+02
      5   0.628826D+01  0.554450D+01  0.486472D+01 -0.543559D+00  0.932706D+01
      6   0.449802D+01  0.156713D+01  0.556834D+01  0.153841D+01 -0.946397D+01
               146           147           148           149           150 
      1  -0.290339D+01  0.336111D+01 -0.194823D+01 -0.277107D+01  0.151307D+01
      2  -0.918233D+01  0.151778D-01 -0.716610D+01  0.145784D+02 -0.500387D+01
      3   0.120857D+02 -0.337629D+01  0.911433D+01 -0.118074D+02  0.349079D+01
      4   0.243483D+02 -0.103255D+02  0.186678D+02 -0.199341D+02  0.752301D+01
      5  -0.600932D+01  0.828409D+01 -0.407759D+01  0.581356D+01 -0.450961D+01
      6   0.721022D+01 -0.865173D+01  0.571420D+01 -0.901746D+01  0.798881D+01
               151           152           153           154           155 
      1   0.426913D+01  0.258036D+01 -0.814472D+00 -0.861090D+01 -0.137549D+02
      2  -0.570378D+00 -0.709261D+01  0.108698D+01  0.105380D+02  0.174785D+02
      3  -0.369875D+01  0.451225D+01 -0.272512D+00 -0.192708D+01 -0.372360D+01
      4  -0.121787D+02  0.112790D+02 -0.996897D+01  0.152342D+02  0.796319D+01
      5   0.876653D+01 -0.691856D+01  0.723255D+01 -0.118626D+01 -0.138531D+01
      6  -0.815647D+01  0.106803D+02 -0.775926D+01 -0.719657D+01 -0.495373D+01
               156           157           158           159           160 
      1   0.445946D+01 -0.884553D+01 -0.111435D+02  0.348061D+01  0.479189D+01
      2  -0.345178D+01  0.111890D+02  0.162537D+02 -0.452890D+01 -0.269936D+01
      3  -0.100768D+01 -0.234347D+01 -0.511017D+01  0.104829D+01 -0.209252D+01
      4  -0.488344D+01  0.919994D+01  0.550142D+01 -0.137408D+01 -0.558534D+01
      5   0.174142D+01 -0.567446D+00 -0.152728D+00 -0.207789D+00  0.282959D+01
      6   0.612114D+01 -0.348659D+01 -0.541544D+01  0.569011D+01  0.461336D+01
               161           162           163           164           165 
      1   0.562956D+01 -0.551036D+01 -0.564418D+00 -0.175882D+01 -0.151134D+01
      2  -0.680281D+01  0.335356D+01  0.106228D+01  0.213401D+00  0.104994D+01
      3   0.117325D+01  0.215680D+01 -0.497862D+00  0.154542D+01  0.461405D+00
      4  -0.485041D+00  0.162148D+01 -0.268793D+01  0.580636D+01  0.255302D+01
      5  -0.680511D+00 -0.186591D+01 -0.216013D+01  0.112002D+01  0.511072D+01
      6   0.755942D+01 -0.355533D+01  0.205545D+01 -0.622294D+00 -0.214533D+01
               166           167           168           169           170 
      1  -0.492768D+00 -0.466403D+01 -0.449653D+01 -0.207787D+01 -0.882472D+01
      2  -0.473770D+00  0.535815D+01  0.508806D+01  0.132060D+01  0.956953D+01
      3   0.966538D+00 -0.694116D+00 -0.591528D+00  0.757271D+00 -0.744809D+00
      4   0.418741D+01 -0.299244D+01 -0.272601D+01  0.484961D+01 -0.671749D+01
      5  -0.169459D-01 -0.275053D+01 -0.276138D+01  0.575228D+01 -0.635545D+01
      6  -0.713866D+00  0.646830D+01  0.105271D+02 -0.319221D+01  0.148387D+02
               171 
      1  -0.115763D+02
      2  -0.867069D-01
      3   0.116630D+02
      4  -0.727545D+01
      5  -0.160521D+02
      6   0.287019D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:00:44 2021, MaxMem=  6442450944 cpu:            4582.4 elap:             573.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20090 -19.14486 -14.32927 -10.32676 -10.23352
 Alpha  occ. eigenvalues --  -10.19949 -10.18089 -10.17384  -1.11183  -1.02123
 Alpha  occ. eigenvalues --   -0.90216  -0.79886  -0.70912  -0.68299  -0.62626
 Alpha  occ. eigenvalues --   -0.58338  -0.51091  -0.50517  -0.48982  -0.48459
 Alpha  occ. eigenvalues --   -0.46429  -0.42838  -0.42552  -0.40281  -0.39565
 Alpha  occ. eigenvalues --   -0.38577  -0.35324  -0.34631  -0.34377  -0.33515
 Alpha  occ. eigenvalues --   -0.30940  -0.25519
 Alpha virt. eigenvalues --   -0.01499  -0.00086   0.02931   0.03291   0.04224
 Alpha virt. eigenvalues --    0.05982   0.07432   0.08083   0.08877   0.09358
 Alpha virt. eigenvalues --    0.11027   0.11190   0.12123   0.12342   0.13117
 Alpha virt. eigenvalues --    0.13712   0.14601   0.14734   0.16326   0.16452
 Alpha virt. eigenvalues --    0.18036   0.18809   0.19746   0.20689   0.21306
 Alpha virt. eigenvalues --    0.21692   0.22071   0.23043   0.23249   0.24802
 Alpha virt. eigenvalues --    0.25615   0.26240   0.27524   0.28667   0.29239
 Alpha virt. eigenvalues --    0.30169   0.30374   0.31352   0.31911   0.32561
 Alpha virt. eigenvalues --    0.33204   0.33739   0.34480   0.35157   0.35816
 Alpha virt. eigenvalues --    0.35912   0.36422   0.37062   0.37427   0.38559
 Alpha virt. eigenvalues --    0.38974   0.39294   0.39721   0.39937   0.41045
 Alpha virt. eigenvalues --    0.41895   0.42185   0.42896   0.43406   0.44314
 Alpha virt. eigenvalues --    0.45159   0.45780   0.47147   0.48018   0.48795
 Alpha virt. eigenvalues --    0.49154   0.49530   0.49847   0.50861   0.51239
 Alpha virt. eigenvalues --    0.52446   0.53626   0.53779   0.54465   0.55213
 Alpha virt. eigenvalues --    0.55911   0.56727   0.57253   0.57576   0.57768
 Alpha virt. eigenvalues --    0.59170   0.59854   0.60653   0.62217   0.63302
 Alpha virt. eigenvalues --    0.63541   0.64243   0.65127   0.66385   0.66931
 Alpha virt. eigenvalues --    0.68481   0.69224   0.70407   0.71758   0.72227
 Alpha virt. eigenvalues --    0.72894   0.74609   0.75550   0.76518   0.76697
 Alpha virt. eigenvalues --    0.78738   0.80655   0.82092   0.82464   0.86844
 Alpha virt. eigenvalues --    0.87061   0.88970   0.90788   0.92042   0.95632
 Alpha virt. eigenvalues --    0.96652   0.98991   1.00437   1.01821   1.01913
 Alpha virt. eigenvalues --    1.02621   1.04249   1.05712   1.07685   1.09793
 Alpha virt. eigenvalues --    1.10728   1.11434   1.15031   1.16928   1.20140
 Alpha virt. eigenvalues --    1.22630   1.24450   1.25120   1.29288   1.32000
 Alpha virt. eigenvalues --    1.33162   1.33907   1.36689   1.38774   1.40561
 Alpha virt. eigenvalues --    1.43278   1.44837   1.45033   1.48868   1.54505
 Alpha virt. eigenvalues --    1.56181   1.58527   1.60420   1.61083   1.63274
 Alpha virt. eigenvalues --    1.64494   1.68727   1.68982   1.71472   1.71944
 Alpha virt. eigenvalues --    1.75783   1.77222   1.79613   1.81005   1.84316
 Alpha virt. eigenvalues --    1.84649   1.85542   1.88328   1.89310   1.89877
 Alpha virt. eigenvalues --    1.92474   1.97054   1.98124   1.99747   2.00126
 Alpha virt. eigenvalues --    2.01633   2.02430   2.03627   2.04899   2.08360
 Alpha virt. eigenvalues --    2.09315   2.10776   2.12600   2.13724   2.16028
 Alpha virt. eigenvalues --    2.17122   2.18289   2.20759   2.21754   2.26483
 Alpha virt. eigenvalues --    2.26918   2.29152   2.31332   2.33322   2.35772
 Alpha virt. eigenvalues --    2.38334   2.40971   2.42967   2.44526   2.49031
 Alpha virt. eigenvalues --    2.54417   2.57817   2.60620   2.64234   2.66150
 Alpha virt. eigenvalues --    2.68304   2.68871   2.70006   2.79143   2.84629
 Alpha virt. eigenvalues --    2.87068   2.88695   2.90888   2.97149   2.98440
 Alpha virt. eigenvalues --    2.98636   3.02090   3.03329   3.07602   3.09207
 Alpha virt. eigenvalues --    3.13211   3.15372   3.17889   3.21034   3.22842
 Alpha virt. eigenvalues --    3.27668   3.38039   3.42272   3.60871   3.63767
 Alpha virt. eigenvalues --    3.83083   3.94270
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.252673   0.349425  -0.037398  -0.111387   0.021025  -0.067828
     2  C    0.349425   6.124180   0.310417   0.040206  -0.070844   0.289277
     3  C   -0.037398   0.310417   5.638250   0.144913  -0.233905  -0.078596
     4  C   -0.111387   0.040206   0.144913   5.741368  -0.122817   0.038507
     5  O    0.021025  -0.070844  -0.233905  -0.122817   8.498175   0.014771
     6  C   -0.067828   0.289277  -0.078596   0.038507   0.014771   4.212738
     7  N    0.044101  -0.326298  -0.233716  -0.145688   0.039113  -0.016756
     8  O    0.025372  -0.010549  -0.038130  -0.178209   0.104127  -0.001809
     9  H   -0.005924  -0.015273  -0.047281  -0.006403   0.032666   0.013020
    10  H   -0.037134   0.178576   0.127447  -0.040740  -0.063219  -0.084835
    11  H   -0.005333   0.012007   0.059307   0.104557   0.054907  -0.000912
    12  H   -0.004730   0.069138   0.169626   0.075857  -0.027910  -0.003289
    13  H   -0.000161   0.048738   0.147918  -0.008950   0.001304  -0.000112
    14  H   -0.006465   0.158400   0.027574  -0.009923   0.001362   0.089863
    15  H   -0.004623   0.181087   0.018403  -0.000843  -0.000962   0.043644
    16  H    0.009242   0.067614  -0.044423   0.004946   0.000248   0.329692
    17  H    0.115465   0.121376   0.025642  -0.005298   0.004942  -0.011454
    18  H    0.332902  -0.023736  -0.092960  -0.042606   0.043832   0.024109
    19  H    0.081811   0.176928   0.007900   0.040126  -0.007912  -0.018978
               7          8          9         10         11         12
     1  C    0.044101   0.025372  -0.005924  -0.037134  -0.005333  -0.004730
     2  C   -0.326298  -0.010549  -0.015273   0.178576   0.012007   0.069138
     3  C   -0.233716  -0.038130  -0.047281   0.127447   0.059307   0.169626
     4  C   -0.145688  -0.178209  -0.006403  -0.040740   0.104557   0.075857
     5  O    0.039113   0.104127   0.032666  -0.063219   0.054907  -0.027910
     6  C   -0.016756  -0.001809   0.013020  -0.084835  -0.000912  -0.003289
     7  N    8.067755   0.053176   0.033522   0.020086  -0.007227  -0.327314
     8  O    0.053176   8.580883  -0.015593  -0.001416  -0.066360  -0.023375
     9  H    0.033522  -0.015593   1.126518   0.010010  -0.005401  -0.040044
    10  H    0.020086  -0.001416   0.010010   1.196684   0.010642   0.002215
    11  H   -0.007227  -0.066360  -0.005401   0.010642   0.772030   0.004437
    12  H   -0.327314  -0.023375  -0.040044   0.002215   0.004437   1.096632
    13  H   -0.225278  -0.011697   0.023235  -0.045755  -0.000075   0.012373
    14  H    0.010580   0.001159   0.007273   0.009792  -0.000044  -0.001122
    15  H    0.016951   0.003205  -0.033444  -0.000832   0.000029  -0.000909
    16  H   -0.026368  -0.001066  -0.001756  -0.011459   0.000009   0.007135
    17  H    0.001498  -0.000238   0.005972   0.047731  -0.000307  -0.000200
    18  H    0.009884   0.037752   0.011606  -0.055749  -0.006581  -0.001341
    19  H   -0.002567  -0.025571  -0.011892   0.004308   0.000667   0.000318
              13         14         15         16         17         18
     1  C   -0.000161  -0.006465  -0.004623   0.009242   0.115465   0.332902
     2  C    0.048738   0.158400   0.181087   0.067614   0.121376  -0.023736
     3  C    0.147918   0.027574   0.018403  -0.044423   0.025642  -0.092960
     4  C   -0.008950  -0.009923  -0.000843   0.004946  -0.005298  -0.042606
     5  O    0.001304   0.001362  -0.000962   0.000248   0.004942   0.043832
     6  C   -0.000112   0.089863   0.043644   0.329692  -0.011454   0.024109
     7  N   -0.225278   0.010580   0.016951  -0.026368   0.001498   0.009884
     8  O   -0.011697   0.001159   0.003205  -0.001066  -0.000238   0.037752
     9  H    0.023235   0.007273  -0.033444  -0.001756   0.005972   0.011606
    10  H   -0.045755   0.009792  -0.000832  -0.011459   0.047731  -0.055749
    11  H   -0.000075  -0.000044   0.000029   0.000009  -0.000307  -0.006581
    12  H    0.012373  -0.001122  -0.000909   0.007135  -0.000200  -0.001341
    13  H    1.036955   0.001304  -0.002719  -0.007130  -0.000128  -0.000317
    14  H    0.001304   0.917186  -0.036343  -0.054688   0.035531   0.007537
    15  H   -0.002719  -0.036343   0.910871  -0.109996  -0.023147  -0.002760
    16  H   -0.007130  -0.054688  -0.109996   0.893900   0.001443  -0.003127
    17  H   -0.000128   0.035531  -0.023147   0.001443   0.779758  -0.000593
    18  H   -0.000317   0.007537  -0.002760  -0.003127  -0.000593   0.962973
    19  H   -0.000637  -0.026163   0.018387   0.002033  -0.002399  -0.117373
              19
     1  C    0.081811
     2  C    0.176928
     3  C    0.007900
     4  C    0.040126
     5  O   -0.007912
     6  C   -0.018978
     7  N   -0.002567
     8  O   -0.025571
     9  H   -0.011892
    10  H    0.004308
    11  H    0.000667
    12  H    0.000318
    13  H   -0.000637
    14  H   -0.026163
    15  H    0.018387
    16  H    0.002033
    17  H   -0.002399
    18  H   -0.117373
    19  H    0.789641
 Mulliken charges:
               1
     1  C    1.048966
     2  C   -1.680670
     3  C    0.129012
     4  C    0.482382
     5  O   -0.288903
     6  C    1.228948
     7  N    0.014544
     8  O   -0.431661
     9  H   -0.080812
    10  H   -0.266352
    11  H    0.073649
    12  H   -0.007497
    13  H    0.031131
    14  H   -0.132813
    15  H    0.024000
    16  H   -0.056250
    17  H   -0.095594
    18  H   -0.083453
    19  H    0.091372
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.961291
     2  C   -1.947022
     3  C    0.048200
     4  C    0.482382
     5  O   -0.215254
     6  C    1.063885
     7  N    0.038179
     8  O   -0.431661
 Electronic spatial extent (au):  <R**2>=           1057.9471
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0128    Y=              0.4150    Z=              1.5922  Tot=              1.6454
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.7595   YY=            -50.4197   ZZ=            -51.1830
   XY=             -4.0957   XZ=             -5.0083   YZ=             -2.0574
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0279   YY=              0.3677   ZZ=             -0.3956
   XY=             -4.0957   XZ=             -5.0083   YZ=             -2.0574
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -22.1059  YYY=              4.0933  ZZZ=              3.0370  XYY=            -12.8091
  XXY=             -0.6011  XXZ=             18.5502  XZZ=             -1.5889  YZZ=              3.7626
  YYZ=              2.9071  XYZ=              6.5910
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -770.1980 YYYY=           -415.5545 ZZZZ=           -182.8062 XXXY=             -0.2045
 XXXZ=            -45.7718 YYYX=            -17.6402 YYYZ=             -0.2220 ZZZX=            -12.2303
 ZZZY=             -0.5698 XXYY=           -202.4515 XXZZ=           -160.5126 YYZZ=            -93.7571
 XXYZ=            -16.3874 YYXZ=              0.0259 ZZXY=             -1.0338
 N-N= 4.072918790346D+02 E-N=-1.751412677281D+03  KE= 3.980130332666D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:00:45 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.68311807D-02 1.77371470D-01 6.26201715D-01
 Polarizability= 8.22267878D+01 2.49082136D+00 7.41808333D+01
                 3.35194953D-01 1.07135497D+00 6.88385936D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1324   -0.1319        1.5930    1.5926
 2      0.1324    0.1319       -0.6213   -0.6207       -4.3838   -4.3847
 3     -1.5930   -1.5926        7.4441    7.4443        0.6212    0.6207
 4      0.6213    0.6207        0.0000    0.0000       -1.5921   -1.5926
 5     -3.0603   -3.0596        1.5921    1.5926       -0.1317   -0.1319
 6     -0.6212   -0.6207        0.1317    0.1319        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3956    0.3956        4.7779    4.7779
 2      1.8622    1.8622       -0.0000    0.0000        4.7779    4.7779
 3      1.8622    1.8622        0.3956    0.3956        0.0000    0.0000
 4      0.3956    0.3956       -1.8622   -1.8622      -13.1540  -13.1540
 5     -4.7779   -4.7779       22.3328   22.3328        1.8622    1.8622
 6     -9.1788   -9.1788        4.7779    4.7779       -0.3956   -0.3956
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0105    0.0000        0.5602    0.5275       -6.3981   -6.3706
 2     -0.5690   -0.5275        2.4631    2.4829       17.5734   17.5387
 3      6.3921    6.3706      -29.7598  -29.7770       -2.4823   -2.4829
 4     -2.5004   -2.4829        0.0497    0.0000        6.3877    6.3706
 5     12.2344   12.2383       -6.3718   -6.3706        0.5240    0.5275
 6      2.4926    2.4829       -0.5341   -0.5275        0.0101    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0439    0.0000        9.2495    9.3023        3.0819    3.0184
 2     -9.2667   -9.3023      -18.3845  -18.3166        3.8217    3.8125
 3     -2.9824   -3.0184        9.2713    9.2439       18.1880   18.3166
 4     18.2738   18.3166        0.0415    0.0000       -3.0715   -3.0184
 5    -13.0531  -13.0564        3.0906    3.0184        9.3843    9.3023
 6    -18.3198  -18.3166       -9.3004   -9.3023       -0.0163    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     15.7700   15.7736       10.9437   10.9215        3.3017    3.3429
 2     42.1787   42.1840       22.0650   22.0362        3.3488    3.3429
 3     42.1486   42.1840       10.9636   10.9215        3.6159    3.6406
 4    -11.1021  -11.1147      -26.4497  -26.4104        8.4620    8.4219
 5      0.2687    0.2978       14.8480   14.7979       26.2969   26.4104
 6    -23.2740  -23.2198       -0.2009   -0.2978       11.1945   11.1147
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.6218   -5.0904   -0.0006   -0.0004   -0.0002    0.8754
 Low frequencies ---   50.1305   72.6669  167.4949
 Diagonal vibrational polarizability:
       16.2729913      20.1562444      20.7277964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     50.1283                72.6656               167.4948
 Red. masses --      8.0815                 2.8232                 3.9152
 Frc consts  --      0.0120                 0.0088                 0.0647
 IR Inten    --      1.0562                 0.1631                 0.0120
 RamAct Fr= 1--      1.2114                 0.1293                 0.5025
  Dep-P Fr= 1--      0.7221                 0.7497                 0.5087
  Dep-U Fr= 1--      0.8386                 0.8570                 0.6744
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0024
 Beta2  Fr= 1--      0.1693                 0.0185                 0.0565
 AlphaG Fr= 1--      0.0016                 0.0000                -0.0037
 Gamma2 Fr= 1--      0.0273                 0.0154                -0.1798
 Delta2 Fr= 1--     -0.0049                 0.0290                -0.0415
 Raman1 Fr= 1--       4.845                  0.517                  2.010
 ROA1   Fr= 1--       2.462                  2.407                -18.587
 CID1   Fr= 1--       0.508                  4.654                 -9.248
 Raman2 Fr= 1--       2.032                  0.222                  0.678
 ROA2   Fr= 1--       0.693                  0.138                 -3.983
 CID2   Fr= 1--       0.341                  0.621                 -5.878
 Raman3 Fr= 1--       4.064                  0.443                  1.355
 ROA3   Fr= 1--       2.462                  2.407                -18.587
 CID3   Fr= 1--       0.606                  5.431                -13.714
 RC180  Fr= 1--       0.677                  0.714                  0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.14     0.07  -0.02  -0.21     0.26  -0.07   0.05
     2   6     0.01   0.02   0.06    -0.03  -0.05  -0.01     0.09  -0.06   0.01
     3   6     0.02  -0.09  -0.06    -0.01  -0.05  -0.04     0.01  -0.13   0.06
     4   6    -0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.07  -0.00   0.02
     5   8     0.21  -0.33   0.06     0.02   0.11   0.04    -0.20   0.12  -0.03
     6   6     0.01   0.05   0.10    -0.01   0.06   0.22     0.00   0.09  -0.11
     7   7    -0.04  -0.04  -0.23     0.03  -0.03  -0.13     0.02  -0.13   0.07
     8   8    -0.25   0.40  -0.05    -0.06  -0.04   0.09    -0.09   0.12  -0.04
     9   1     0.04  -0.21  -0.05    -0.02  -0.12  -0.04    -0.01  -0.12   0.06
    10   1    -0.06   0.08   0.04    -0.15  -0.19  -0.00     0.15  -0.05   0.02
    11   1     0.13  -0.16   0.08     0.01   0.14   0.09    -0.28   0.29  -0.11
    12   1    -0.05  -0.14  -0.31     0.02  -0.06  -0.14     0.01  -0.13   0.08
    13   1    -0.05   0.07  -0.25     0.06   0.04  -0.13     0.02  -0.14   0.07
    14   1    -0.01   0.10   0.16    -0.05  -0.03   0.20     0.11   0.13  -0.23
    15   1     0.07   0.01   0.12     0.09   0.27   0.19    -0.11   0.15  -0.14
    16   1    -0.03   0.06   0.05    -0.05   0.03   0.42    -0.08   0.08  -0.07
    17   1     0.03   0.05   0.26     0.00  -0.06  -0.13     0.28   0.03   0.13
    18   1     0.05   0.01   0.08     0.02  -0.11  -0.43     0.28  -0.15  -0.01
    19   1     0.19  -0.06   0.17     0.26   0.12  -0.22     0.37  -0.10   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    213.0124               224.7072               260.2661
 Red. masses --      1.0752                 1.2478                 1.5027
 Frc consts  --      0.0287                 0.0371                 0.0600
 IR Inten    --      0.2332                 0.4621                19.4675
 RamAct Fr= 1--      0.1499                 0.1023                 0.3629
  Dep-P Fr= 1--      0.7317                 0.7470                 0.7472
  Dep-U Fr= 1--      0.8451                 0.8552                 0.8553
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0211                 0.0146                 0.0517
 AlphaG Fr= 1--      0.0000                -0.0001                 0.0003
 Gamma2 Fr= 1--     -0.0133                 0.0617                 0.0626
 Delta2 Fr= 1--      0.0160                 0.0295                -0.1504
 Raman1 Fr= 1--       0.600                  0.409                  1.452
 ROA1   Fr= 1--      -0.769                  6.863                  1.193
 CID1   Fr= 1--      -1.282                 16.771                  0.822
 Raman2 Fr= 1--       0.253                  0.175                  0.621
 ROA2   Fr= 1--      -0.447                  1.244                  2.704
 CID2   Fr= 1--      -1.766                  7.109                  4.356
 Raman3 Fr= 1--       0.507                  0.350                  1.242
 ROA3   Fr= 1--      -0.769                  6.863                  1.193
 CID3   Fr= 1--      -1.517                 19.611                  0.961
 RC180  Fr= 1--       0.690                  0.710                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.02  -0.01   0.02    -0.00   0.02   0.01
     2   6    -0.01   0.01   0.00    -0.02   0.00  -0.04    -0.03   0.02  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.02  -0.05    -0.02   0.01  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.01  -0.03    -0.03   0.00   0.02
     5   8    -0.01  -0.03   0.00     0.06   0.03  -0.01    -0.07  -0.06   0.01
     6   6    -0.01  -0.00  -0.03    -0.01  -0.01  -0.01    -0.03   0.04   0.01
     7   7     0.02   0.02  -0.01    -0.01  -0.01   0.07     0.14   0.01  -0.06
     8   8     0.02  -0.01  -0.00    -0.03  -0.02   0.01     0.01  -0.02  -0.00
     9   1    -0.01  -0.00   0.01    -0.02   0.09  -0.06    -0.07  -0.04  -0.02
    10   1     0.01   0.02   0.01    -0.06   0.03  -0.06    -0.04   0.02  -0.01
    11   1     0.00  -0.05  -0.01     0.07   0.01   0.04    -0.04  -0.12  -0.04
    12   1     0.00   0.02   0.01    -0.06   0.04   0.17    -0.28  -0.02   0.39
    13   1     0.07   0.03  -0.00     0.05  -0.11   0.10     0.81   0.02   0.12
    14   1     0.04  -0.35  -0.38    -0.05   0.17   0.20    -0.04   0.10   0.08
    15   1    -0.25   0.41  -0.15     0.14  -0.25   0.07     0.03  -0.03   0.03
    16   1     0.17  -0.07   0.39    -0.09   0.03  -0.24    -0.06   0.05  -0.07
    17   1    -0.19  -0.01   0.30    -0.23   0.00   0.44     0.03   0.04  -0.01
    18   1    -0.14   0.07  -0.22    -0.16   0.04  -0.37     0.02  -0.00   0.05
    19   1     0.28  -0.04   0.07     0.51  -0.09   0.08    -0.03   0.00   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    267.1170               298.7253               350.5555
 Red. masses --      1.9693                 2.1632                 2.5541
 Frc consts  --      0.0828                 0.1137                 0.1849
 IR Inten    --      5.2500                13.3919                 5.9262
 RamAct Fr= 1--      0.4000                 0.3319                 0.9908
  Dep-P Fr= 1--      0.4424                 0.6504                 0.1187
  Dep-U Fr= 1--      0.6135                 0.7882                 0.2121
 Alpha2 Fr= 1--      0.0025                 0.0006                 0.0166
 Beta2  Fr= 1--      0.0409                 0.0436                 0.0350
 AlphaG Fr= 1--      0.0107                -0.0067                 0.0092
 Gamma2 Fr= 1--     -0.0243                 0.3048                -0.0748
 Delta2 Fr= 1--     -0.0400                 0.2036                 0.1065
 Raman1 Fr= 1--       1.600                  1.328                  3.963
 ROA1   Fr= 1--      -3.615                 35.780                 -3.771
 CID1   Fr= 1--      -2.259                 26.952                 -0.952
 Raman2 Fr= 1--       0.491                  0.523                  0.420
 ROA2   Fr= 1--      -0.264                  5.687                 -2.647
 CID2   Fr= 1--      -0.537                 10.871                 -6.297
 Raman3 Fr= 1--       0.982                  1.046                  0.841
 ROA3   Fr= 1--      -3.615                 35.780                 -3.771
 CID3   Fr= 1--      -3.682                 34.196                 -4.485
 RC180  Fr= 1--       0.227                  0.576                 -0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.07     0.00  -0.06   0.03    -0.13  -0.05  -0.02
     2   6    -0.02  -0.00  -0.04    -0.07  -0.05  -0.00     0.00  -0.07   0.08
     3   6    -0.00  -0.02  -0.09    -0.02   0.01  -0.01     0.06  -0.08   0.06
     4   6     0.01  -0.01  -0.08    -0.02   0.03  -0.03     0.10  -0.01   0.02
     5   8     0.13   0.08  -0.05     0.05  -0.03  -0.01     0.07   0.05   0.01
     6   6    -0.02   0.04   0.05    -0.16   0.11  -0.02    -0.12   0.12  -0.04
     7   7    -0.03  -0.06   0.08     0.19  -0.00   0.05    -0.07  -0.07  -0.04
     8   8    -0.08  -0.02  -0.00    -0.01  -0.04  -0.00     0.13   0.07  -0.04
     9   1     0.03   0.07  -0.10     0.00   0.03  -0.01     0.12  -0.14   0.07
    10   1    -0.09   0.04  -0.06    -0.09  -0.04  -0.01     0.04  -0.11   0.09
    11   1     0.13   0.11   0.07     0.08  -0.11   0.04     0.02   0.17   0.02
    12   1    -0.25  -0.04   0.35     0.64   0.22  -0.26    -0.34  -0.24   0.11
    13   1     0.21  -0.25   0.17    -0.24   0.05  -0.08     0.15  -0.06   0.02
    14   1    -0.02  -0.14  -0.09    -0.06   0.24  -0.04     0.06   0.35  -0.11
    15   1    -0.05   0.31  -0.01    -0.16   0.15  -0.03    -0.21   0.10  -0.06
    16   1     0.03  -0.00   0.32    -0.34   0.12  -0.03    -0.36   0.14  -0.13
    17   1     0.17   0.07  -0.11     0.06   0.01   0.02    -0.26  -0.22   0.02
    18   1     0.12  -0.04   0.38     0.04  -0.10   0.10    -0.23   0.06  -0.16
    19   1    -0.29  -0.12   0.07    -0.04  -0.09   0.04    -0.06   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    386.5719               438.6640               532.8875
 Red. masses --      2.7224                 2.8335                 3.6805
 Frc consts  --      0.2397                 0.3212                 0.6158
 IR Inten    --      5.1256                 2.1896                 9.8305
 RamAct Fr= 1--      1.3280                 0.8594                 4.8410
  Dep-P Fr= 1--      0.5796                 0.3653                 0.1074
  Dep-U Fr= 1--      0.7339                 0.5351                 0.1940
 Alpha2 Fr= 1--      0.0042                 0.0072                 0.0832
 Beta2  Fr= 1--      0.1624                 0.0766                 0.1565
 AlphaG Fr= 1--     -0.0040                 0.0077                -0.0052
 Gamma2 Fr= 1--     -0.2853                -0.3318                 0.2776
 Delta2 Fr= 1--      0.1587                -0.0154                 0.0718
 Raman1 Fr= 1--       5.312                  3.438                 19.364
 ROA1   Fr= 1--     -22.307                -32.344                 28.947
 CID1   Fr= 1--      -4.199                 -9.409                  1.495
 Raman2 Fr= 1--       1.949                  0.920                  1.878
 ROA2   Fr= 1--      -8.115                 -7.840                  6.089
 CID2   Fr= 1--      -4.164                 -8.524                  3.242
 Raman3 Fr= 1--       3.898                  1.840                  3.756
 ROA3   Fr= 1--     -22.307                -32.344                 28.947
 CID3   Fr= 1--      -5.722                -17.582                  7.707
 RC180  Fr= 1--       0.468                  0.070                 -0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.07  -0.00     0.01   0.18  -0.04    -0.00  -0.18   0.00
     2   6    -0.13  -0.05   0.06    -0.01   0.08   0.23     0.12  -0.12   0.09
     3   6    -0.05   0.06   0.02     0.04  -0.05   0.06     0.06   0.10   0.12
     4   6     0.02   0.08  -0.00    -0.03  -0.06  -0.08    -0.04   0.03  -0.09
     5   8     0.07   0.02   0.01     0.07   0.02  -0.07     0.01  -0.01  -0.11
     6   6    -0.15  -0.14  -0.01    -0.05  -0.06  -0.03     0.07   0.05  -0.01
     7   7    -0.08   0.10  -0.04     0.07  -0.06   0.02    -0.03   0.22  -0.03
     8   8     0.09   0.03  -0.03    -0.13  -0.06  -0.01    -0.17  -0.08   0.05
     9   1     0.00   0.05   0.03     0.23  -0.11   0.10     0.22   0.13   0.14
    10   1    -0.14  -0.09   0.07     0.01   0.09   0.22     0.23  -0.23   0.12
    11   1     0.12  -0.09   0.07     0.04   0.11   0.04     0.12  -0.25  -0.06
    12   1    -0.25  -0.01   0.05     0.08  -0.01   0.04    -0.25  -0.01   0.01
    13   1     0.08   0.13   0.00     0.13  -0.03   0.03     0.12   0.35   0.00
    14   1    -0.14  -0.19  -0.08     0.03  -0.08  -0.17     0.24   0.24  -0.09
    15   1    -0.29  -0.21  -0.02    -0.33  -0.25  -0.05     0.01   0.11  -0.04
    16   1    -0.03  -0.14  -0.08     0.13  -0.04  -0.22    -0.15   0.06  -0.03
    17   1     0.37   0.18  -0.07     0.00   0.02  -0.19    -0.07  -0.29   0.01
    18   1     0.33  -0.39   0.02    -0.00   0.05  -0.24    -0.06  -0.07  -0.01
    19   1     0.21   0.01  -0.01     0.06   0.53  -0.11    -0.02  -0.18   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    594.8940               634.9587               773.5657
 Red. masses --      1.1944                 3.2124                 4.1443
 Frc consts  --      0.2490                 0.7631                 1.4611
 IR Inten    --     84.2038                47.7331                18.7576
 RamAct Fr= 1--      1.1307                 4.3775                 1.9237
  Dep-P Fr= 1--      0.6234                 0.0459                 0.3365
  Dep-U Fr= 1--      0.7680                 0.0877                 0.5035
 Alpha2 Fr= 1--      0.0026                 0.0873                 0.0176
 Beta2  Fr= 1--      0.1447                 0.0640                 0.1614
 AlphaG Fr= 1--     -0.0101                 0.0076                 0.0094
 Gamma2 Fr= 1--     -0.1427                -0.0588                 0.1039
 Delta2 Fr= 1--      0.0317                -0.0668                -0.4489
 Raman1 Fr= 1--       4.523                 17.510                  7.695
 ROA1   Fr= 1--     -12.687                 -7.786                 -4.388
 CID1   Fr= 1--      -2.805                 -0.445                 -0.570
 Raman2 Fr= 1--       1.737                  0.768                  1.937
 ROA2   Fr= 1--      -3.678                 -0.878                  6.085
 CID2   Fr= 1--      -2.118                 -1.143                  3.141
 Raman3 Fr= 1--       3.474                  1.536                  3.875
 ROA3   Fr= 1--     -12.687                 -7.786                 -4.388
 CID3   Fr= 1--      -3.652                 -5.070                 -1.133
 RC180  Fr= 1--       0.536                 -0.825                  0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.01  -0.06   0.02
     2   6    -0.01  -0.00  -0.02    -0.03   0.00   0.01     0.04  -0.03   0.13
     3   6     0.01   0.03   0.00     0.16   0.02  -0.14    -0.05   0.00  -0.14
     4   6     0.03  -0.06   0.00     0.19   0.07   0.01    -0.18   0.38  -0.06
     5   8     0.02  -0.06  -0.01    -0.11  -0.05  -0.10     0.02  -0.10   0.07
     6   6    -0.02  -0.01   0.00    -0.08  -0.02   0.01     0.11   0.04  -0.00
     7   7     0.01   0.06   0.00    -0.01  -0.02   0.01    -0.02  -0.07  -0.01
     8   8    -0.01  -0.01   0.02    -0.02   0.04   0.23     0.07  -0.09   0.01
     9   1     0.00   0.06   0.00     0.20   0.02  -0.13     0.01  -0.12  -0.12
    10   1    -0.02  -0.02  -0.01    -0.16   0.05  -0.01    -0.05   0.09   0.10
    11   1    -0.42   0.87  -0.19    -0.05  -0.29  -0.67    -0.20   0.36  -0.05
    12   1     0.00   0.05   0.01    -0.13  -0.09   0.06    -0.09   0.00   0.13
    13   1     0.03   0.07   0.01    -0.19  -0.28  -0.00    -0.18  -0.41  -0.01
    14   1    -0.02  -0.00   0.01    -0.02  -0.00  -0.06     0.23   0.08  -0.13
    15   1    -0.01   0.00   0.00    -0.19  -0.04  -0.01    -0.08  -0.02  -0.03
    16   1    -0.03  -0.01   0.00    -0.09  -0.02  -0.03     0.11   0.05  -0.09
    17   1     0.02   0.03   0.02     0.03   0.05  -0.03    -0.02  -0.28  -0.15
    18   1     0.02  -0.03   0.02     0.02  -0.04  -0.01    -0.04  -0.05  -0.11
    19   1     0.02  -0.05   0.01     0.01   0.06  -0.01    -0.04   0.22  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    811.6935               847.8006               901.8288
 Red. masses --      2.6940                 1.8070                 2.3520
 Frc consts  --      1.0458                 0.7652                 1.1270
 IR Inten    --     76.6544                55.6570                49.2094
 RamAct Fr= 1--      4.5619                 6.2375                 1.5444
  Dep-P Fr= 1--      0.0327                 0.1173                 0.6973
  Dep-U Fr= 1--      0.0633                 0.2099                 0.8217
 Alpha2 Fr= 1--      0.0939                 0.1047                 0.0014
 Beta2  Fr= 1--      0.0482                 0.2182                 0.2115
 AlphaG Fr= 1--      0.0448                -0.0234                 0.0157
 Gamma2 Fr= 1--      0.2863                 0.6822                -0.0434
 Delta2 Fr= 1--     -0.0942                 0.7717                -0.7484
 Raman1 Fr= 1--      18.248                 24.950                  6.178
 ROA1   Fr= 1--      24.472                 90.190                -28.113
 CID1   Fr= 1--       1.341                  3.615                 -4.551
 Raman2 Fr= 1--       0.578                  2.619                  2.538
 ROA2   Fr= 1--       7.625                 10.200                  4.946
 CID2   Fr= 1--      13.195                  3.895                  1.949
 Raman3 Fr= 1--       1.156                  5.237                  5.076
 ROA3   Fr= 1--      24.472                 90.190                -28.113
 CID3   Fr= 1--      21.174                 17.221                 -5.539
 RC180  Fr= 1--      -0.873                 -0.580                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01    -0.01  -0.11   0.02    -0.05  -0.12   0.00
     2   6     0.01   0.00   0.04    -0.01   0.03   0.09    -0.12   0.08   0.03
     3   6     0.12   0.02  -0.16    -0.06   0.06  -0.11    -0.11  -0.07   0.06
     4   6    -0.02  -0.15  -0.00     0.06  -0.10   0.03     0.03  -0.04   0.05
     5   8    -0.07   0.02   0.16    -0.02   0.02   0.01     0.03   0.01  -0.10
     6   6    -0.01  -0.01   0.02     0.07   0.03   0.02     0.10   0.11  -0.04
     7   7     0.09   0.15   0.01    -0.08  -0.04   0.00     0.10   0.06   0.01
     8   8    -0.03   0.00  -0.09     0.01   0.04   0.00     0.02   0.03   0.03
     9   1     0.12   0.02  -0.16    -0.10   0.09  -0.12    -0.19  -0.16   0.06
    10   1    -0.16   0.08   0.00    -0.19   0.12   0.04    -0.09   0.16   0.02
    11   1    -0.02  -0.05   0.32     0.01  -0.06  -0.04     0.04  -0.01  -0.09
    12   1    -0.34  -0.16   0.18     0.40   0.50  -0.01    -0.27  -0.28   0.07
    13   1    -0.47  -0.42  -0.04     0.36   0.13   0.08    -0.35  -0.18  -0.06
    14   1     0.14   0.07  -0.12     0.22   0.07  -0.16    -0.09  -0.12   0.04
    15   1    -0.20  -0.03  -0.01    -0.17  -0.05  -0.02     0.16  -0.06  -0.00
    16   1    -0.06   0.01  -0.07     0.11   0.05  -0.12     0.45   0.10  -0.09
    17   1    -0.00  -0.10  -0.06     0.01  -0.21  -0.12     0.05  -0.03  -0.07
    18   1    -0.01  -0.05  -0.05    -0.01  -0.21  -0.11     0.02  -0.40  -0.13
    19   1    -0.01   0.09  -0.02    -0.00   0.12  -0.03     0.06   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    935.1830               951.9159               978.9412
 Red. masses --      1.4299                 1.6141                 1.5653
 Frc consts  --      0.7368                 0.8617                 0.8838
 IR Inten    --      6.8719                21.3275                15.1303
 RamAct Fr= 1--      2.0572                 3.7590                 2.1564
  Dep-P Fr= 1--      0.5754                 0.6455                 0.5981
  Dep-U Fr= 1--      0.7305                 0.7845                 0.7485
 Alpha2 Fr= 1--      0.0068                 0.0071                 0.0061
 Beta2  Fr= 1--      0.2505                 0.4915                 0.2690
 AlphaG Fr= 1--     -0.0289                -0.0198                -0.0188
 Gamma2 Fr= 1--      1.2663                 0.2557                -0.1122
 Delta2 Fr= 1--      0.9653                -0.1743                -0.0956
 Raman1 Fr= 1--       8.229                 15.036                  8.626
 ROA1   Fr= 1--     152.456                 18.972                -13.831
 CID1   Fr= 1--      18.527                  1.262                 -1.604
 Raman2 Fr= 1--       3.006                  5.898                  3.228
 ROA2   Fr= 1--      22.669                  7.531                 -1.928
 CID2   Fr= 1--       7.542                  1.277                 -0.597
 Raman3 Fr= 1--       6.011                 11.796                  6.457
 ROA3   Fr= 1--     152.456                 18.972                -13.831
 CID3   Fr= 1--      25.361                  1.608                 -2.142
 RC180  Fr= 1--       0.461                  0.569                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.08     0.10   0.01  -0.02    -0.04   0.10  -0.02
     2   6     0.05  -0.06   0.00     0.09  -0.00   0.00    -0.03  -0.09   0.01
     3   6    -0.08  -0.03  -0.03    -0.11  -0.05  -0.03    -0.07  -0.02  -0.01
     4   6     0.01  -0.02   0.03     0.01  -0.02   0.04    -0.00  -0.01   0.03
     5   8     0.01   0.00  -0.04     0.02   0.00  -0.06     0.01   0.00  -0.05
     6   6    -0.02  -0.08  -0.03    -0.06   0.01   0.06     0.11  -0.04   0.04
     7   7     0.01   0.05   0.00     0.02   0.06   0.00     0.02   0.02  -0.00
     8   8     0.01   0.02   0.01     0.02   0.02   0.02     0.01   0.01   0.01
     9   1    -0.22  -0.04  -0.05    -0.28  -0.07  -0.05    -0.20  -0.05  -0.02
    10   1     0.23   0.29  -0.03    -0.08  -0.14   0.00    -0.20  -0.28   0.02
    11   1     0.01  -0.00  -0.04     0.02  -0.00  -0.04     0.02   0.00  -0.01
    12   1    -0.03   0.07   0.06    -0.04   0.07   0.07    -0.05  -0.00   0.04
    13   1    -0.05  -0.04   0.00    -0.10  -0.07  -0.01    -0.09  -0.07  -0.01
    14   1    -0.01   0.12   0.12    -0.05  -0.12  -0.07     0.51   0.28  -0.24
    15   1     0.27   0.24  -0.03    -0.29  -0.22   0.06    -0.23   0.07  -0.04
    16   1    -0.41  -0.10   0.24     0.17   0.02  -0.13    -0.26  -0.00  -0.10
    17   1     0.03  -0.20  -0.19    -0.19  -0.41   0.02     0.06   0.42   0.13
    18   1    -0.03  -0.08  -0.19    -0.11   0.56   0.11     0.08  -0.04   0.11
    19   1     0.02   0.49  -0.02    -0.21  -0.16  -0.01     0.08  -0.11   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1070.9353              1102.7718              1131.3548
 Red. masses --      1.3331                 2.4471                 2.6772
 Frc consts  --      0.9008                 1.7533                 2.0190
 IR Inten    --     12.5682                30.3743                50.2422
 RamAct Fr= 1--      3.3959                 2.5115                 3.4773
  Dep-P Fr= 1--      0.2334                 0.3490                 0.7494
  Dep-U Fr= 1--      0.3784                 0.5175                 0.8567
 Alpha2 Fr= 1--      0.0421                 0.0221                 0.0000
 Beta2  Fr= 1--      0.2142                 0.2166                 0.4965
 AlphaG Fr= 1--     -0.0132                -0.0286                -0.0013
 Gamma2 Fr= 1--     -0.6852                -0.9471                 0.2313
 Delta2 Fr= 1--     -0.4323                -1.0866                 1.0375
 Raman1 Fr= 1--      13.583                 10.046                 13.909
 ROA1   Fr= 1--     -79.610               -125.688                 55.408
 CID1   Fr= 1--      -5.861                -12.511                  3.984
 Raman2 Fr= 1--       2.570                  2.599                  5.958
 ROA2   Fr= 1--     -12.986                -14.037                 -2.748
 CID2   Fr= 1--      -5.052                 -5.400                 -0.461
 Raman3 Fr= 1--       5.141                  5.199                 11.917
 ROA3   Fr= 1--     -79.610               -125.688                 55.408
 CID3   Fr= 1--     -15.486                -24.177                  4.650
 RC180  Fr= 1--      -0.243                  0.035                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.05    -0.03  -0.07  -0.07     0.06   0.06   0.02
     2   6     0.00  -0.01   0.07     0.10   0.13   0.06    -0.08  -0.13   0.08
     3   6    -0.03  -0.08  -0.05    -0.05   0.21   0.03    -0.15   0.17   0.01
     4   6     0.02  -0.00  -0.01    -0.02  -0.04   0.05     0.11  -0.05  -0.09
     5   8    -0.00   0.00   0.02     0.00  -0.01  -0.06    -0.01   0.03   0.11
     6   6    -0.01   0.02  -0.05    -0.06  -0.07   0.03     0.04   0.03  -0.08
     7   7    -0.03   0.08  -0.00     0.03  -0.11  -0.07     0.05  -0.08  -0.04
     8   8     0.00   0.00   0.00     0.00   0.01   0.01    -0.02   0.00  -0.02
     9   1     0.22  -0.44   0.02    -0.09  -0.02   0.04     0.10   0.29   0.04
    10   1     0.26  -0.21   0.13     0.47   0.06   0.12     0.04  -0.40   0.14
    11   1     0.00  -0.03  -0.08     0.01   0.04   0.21    -0.01  -0.07  -0.43
    12   1     0.14   0.49   0.18    -0.05   0.01   0.13    -0.12  -0.21   0.01
    13   1     0.03  -0.25   0.05    -0.18  -0.53  -0.07    -0.13  -0.14  -0.08
    14   1    -0.18  -0.07   0.12     0.03   0.09   0.04    -0.10  -0.02   0.09
    15   1     0.22   0.03  -0.01    -0.07   0.06   0.01     0.33   0.07  -0.03
    16   1     0.06  -0.01   0.09    -0.23  -0.06   0.08     0.13   0.00   0.09
    17   1     0.00   0.21   0.11     0.01   0.12   0.09    -0.08  -0.15   0.04
    18   1     0.04  -0.01   0.10     0.06  -0.14   0.08    -0.03   0.27   0.05
    19   1     0.04  -0.20   0.01     0.07  -0.33  -0.01    -0.10   0.06   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1177.2094              1195.9796              1249.1926
 Red. masses --      2.1025                 1.7403                 1.7444
 Frc consts  --      1.7167                 1.4666                 1.6038
 IR Inten    --    109.3359                 5.1116                 4.9430
 RamAct Fr= 1--      6.7757                 1.8482                 2.5458
  Dep-P Fr= 1--      0.7433                 0.6643                 0.2042
  Dep-U Fr= 1--      0.8527                 0.7983                 0.3392
 Alpha2 Fr= 1--      0.0008                 0.0028                 0.0342
 Beta2  Fr= 1--      0.9630                 0.2459                 0.1439
 AlphaG Fr= 1--     -0.0078                -0.0024                 0.0426
 Gamma2 Fr= 1--      2.1565                 0.1918                 0.5288
 Delta2 Fr= 1--      0.9277                 0.1565                 0.0726
 Raman1 Fr= 1--      27.103                  7.393                 10.183
 ROA1   Fr= 1--     236.709                 23.422                 53.082
 CID1   Fr= 1--       8.734                  3.168                  5.213
 Raman2 Fr= 1--      11.556                  2.951                  1.727
 ROA2   Fr= 1--      44.334                  3.351                 12.110
 CID2   Fr= 1--       3.837                  1.136                  7.012
 Raman3 Fr= 1--      23.111                  5.902                  3.454
 ROA3   Fr= 1--     236.709                 23.422                 53.082
 CID3   Fr= 1--      10.242                  3.969                 15.369
 RC180  Fr= 1--       0.705                  0.597                 -0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.05    -0.10   0.03   0.06    -0.04   0.01  -0.08
     2   6    -0.07  -0.12   0.02     0.14  -0.11  -0.05     0.07  -0.01   0.16
     3   6     0.10   0.09  -0.03    -0.02   0.03  -0.01    -0.01  -0.05  -0.13
     4   6    -0.07  -0.03   0.10     0.01   0.00  -0.01    -0.02  -0.00   0.03
     5   8    -0.02  -0.03  -0.13     0.00   0.01   0.01    -0.01  -0.01  -0.02
     6   6     0.01   0.05  -0.06    -0.06   0.09   0.06    -0.03   0.01  -0.06
     7   7    -0.02  -0.02  -0.02     0.00  -0.01  -0.01     0.01  -0.00   0.05
     8   8     0.03   0.03   0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
     9   1     0.10   0.00  -0.03    -0.23   0.12  -0.06    -0.25   0.45  -0.20
    10   1    -0.14  -0.32   0.04     0.30  -0.24  -0.01     0.02   0.11   0.13
    11   1    -0.00   0.12   0.74     0.00  -0.02  -0.08    -0.01   0.02   0.11
    12   1     0.05   0.09   0.01    -0.00   0.02   0.02    -0.07  -0.32  -0.15
    13   1     0.02  -0.16   0.00    -0.02  -0.06  -0.01     0.05   0.43   0.00
    14   1    -0.15  -0.08   0.05    -0.17  -0.23  -0.06    -0.16  -0.02   0.12
    15   1     0.22  -0.02  -0.01    -0.21  -0.29   0.09     0.19   0.01  -0.01
    16   1     0.20   0.03   0.03     0.33   0.09  -0.13     0.04  -0.03   0.14
    17   1    -0.02  -0.09  -0.02     0.15   0.27  -0.09    -0.02   0.22   0.13
    18   1    -0.04   0.12  -0.03     0.03  -0.34  -0.08     0.08  -0.04   0.16
    19   1    -0.06   0.18   0.01     0.20   0.29   0.03     0.08  -0.25  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1311.3301              1339.4710              1356.4495
 Red. masses --      1.3467                 2.3217                 1.4342
 Frc consts  --      1.3644                 2.4543                 1.5547
 IR Inten    --      5.9385                28.3940                 0.2427
 RamAct Fr= 1--      0.9581                 3.0560                 4.1509
  Dep-P Fr= 1--      0.6487                 0.7438                 0.7478
  Dep-U Fr= 1--      0.7869                 0.8531                 0.8557
 Alpha2 Fr= 1--      0.0017                 0.0003                 0.0002
 Beta2  Fr= 1--      0.1257                 0.4345                 0.5920
 AlphaG Fr= 1--     -0.0075                -0.0017                 0.0041
 Gamma2 Fr= 1--     -0.5479                 0.3539                -0.6855
 Delta2 Fr= 1--     -0.3140                -0.3227                 0.0891
 Raman1 Fr= 1--       3.833                 12.224                 16.604
 ROA1   Fr= 1--     -62.649                 23.650                -62.962
 CID1   Fr= 1--     -16.347                  1.935                 -3.792
 Raman2 Fr= 1--       1.508                  5.214                  7.104
 ROA2   Fr= 1--     -10.638                 11.075                -17.165
 CID2   Fr= 1--      -7.055                  2.124                 -2.416
 Raman3 Fr= 1--       3.016                 10.428                 14.208
 ROA3   Fr= 1--     -62.649                 23.650                -62.962
 CID3   Fr= 1--     -20.774                  2.268                 -4.432
 RC180  Fr= 1--       0.574                  0.706                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.02  -0.00  -0.02     0.03   0.01  -0.06
     2   6    -0.02   0.00  -0.04     0.05  -0.02   0.01    -0.09  -0.14   0.02
     3   6    -0.12  -0.04  -0.07    -0.07  -0.04   0.07     0.04   0.03   0.01
     4   6     0.00  -0.01  -0.00     0.18   0.04  -0.23     0.00  -0.00   0.01
     5   8    -0.02  -0.01  -0.02    -0.08  -0.04   0.02     0.00   0.00   0.00
     6   6     0.01   0.00   0.05    -0.00   0.00  -0.01     0.01   0.04   0.04
     7   7     0.02   0.00   0.02     0.01   0.01  -0.02    -0.01   0.00  -0.01
     8   8     0.03   0.02   0.04     0.00   0.01   0.07    -0.01  -0.00  -0.01
     9   1     0.77   0.18   0.06    -0.16   0.02   0.05    -0.17  -0.07  -0.01
    10   1     0.43   0.03   0.01    -0.29   0.25  -0.08     0.45   0.76  -0.06
    11   1    -0.01   0.03   0.22    -0.05   0.12   0.80     0.00  -0.01  -0.03
    12   1    -0.05  -0.13  -0.04     0.00   0.12   0.08     0.02   0.05   0.01
    13   1    -0.00   0.19  -0.01    -0.02  -0.08  -0.01     0.01  -0.06   0.01
    14   1     0.11  -0.00  -0.09    -0.03  -0.02   0.01     0.08  -0.05  -0.12
    15   1    -0.12  -0.03   0.03    -0.00  -0.02  -0.00    -0.04  -0.09   0.05
    16   1     0.00   0.02  -0.10    -0.02  -0.01   0.03     0.12   0.05  -0.09
    17   1     0.00  -0.03  -0.03     0.02   0.07   0.01    -0.06   0.09   0.15
    18   1    -0.01  -0.02  -0.04     0.01   0.02   0.07     0.02   0.16   0.10
    19   1    -0.01  -0.00   0.01     0.08  -0.01  -0.01    -0.07  -0.07  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8691              1401.0068              1404.2635
 Red. masses --      1.3481                 1.2831                 1.2425
 Frc consts  --      1.5035                 1.4839                 1.4435
 IR Inten    --      4.7605                 6.6998                 2.2518
 RamAct Fr= 1--      6.3928                 3.6348                 1.7209
  Dep-P Fr= 1--      0.7426                 0.7059                 0.7212
  Dep-U Fr= 1--      0.8523                 0.8276                 0.8380
 Alpha2 Fr= 1--      0.0008                 0.0028                 0.0009
 Beta2  Fr= 1--      0.9081                 0.5014                 0.2404
 AlphaG Fr= 1--     -0.0040                -0.0094                 0.0051
 Gamma2 Fr= 1--     -0.0174                 0.1215                -0.3311
 Delta2 Fr= 1--     -0.1829                 0.4430                -0.1791
 Raman1 Fr= 1--      25.571                 14.539                  6.884
 ROA1   Fr= 1--      -7.524                 25.837                -37.520
 CID1   Fr= 1--      -0.294                  1.777                 -5.451
 Raman2 Fr= 1--      10.897                  6.016                  2.884
 ROA2   Fr= 1--       1.046                 -0.629                 -6.514
 CID2   Fr= 1--       0.096                 -0.104                 -2.259
 Raman3 Fr= 1--      21.795                 12.032                  5.769
 ROA3   Fr= 1--      -7.524                 25.837                -37.520
 CID3   Fr= 1--      -0.345                  2.147                 -6.504
 RC180  Fr= 1--       0.705                  0.655                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.03     0.02   0.01   0.00    -0.00  -0.08  -0.01
     2   6    -0.10   0.07  -0.01    -0.05   0.02   0.00    -0.01   0.03  -0.00
     3   6     0.05  -0.01  -0.05     0.03  -0.09   0.04     0.01  -0.05   0.02
     4   6     0.05   0.02  -0.06    -0.01   0.01   0.00    -0.01   0.00   0.00
     5   8    -0.02  -0.01   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.02   0.02     0.08   0.02  -0.01    -0.08  -0.04   0.02
     7   7    -0.00   0.00   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.03
     8   8    -0.01  -0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   1    -0.46  -0.20  -0.12    -0.09   0.71  -0.02    -0.02   0.37  -0.01
    10   1     0.59  -0.42   0.15     0.18  -0.08   0.05     0.05  -0.09   0.02
    11   1    -0.01   0.03   0.18     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    12   1     0.01  -0.15  -0.11     0.04   0.26   0.12     0.02   0.14   0.06
    13   1     0.06   0.16   0.03    -0.03  -0.26  -0.02    -0.02  -0.13  -0.01
    14   1     0.07   0.06   0.01    -0.17  -0.17   0.15     0.26   0.28  -0.16
    15   1    -0.07   0.09  -0.01    -0.27  -0.09  -0.05     0.31   0.21   0.04
    16   1    -0.01   0.01  -0.09    -0.30   0.02   0.06     0.39  -0.03  -0.13
    17   1    -0.01  -0.08  -0.01    -0.04  -0.04   0.04     0.11   0.25   0.13
    18   1    -0.04   0.02  -0.09     0.01  -0.03  -0.04    -0.11   0.27   0.09
    19   1    -0.10   0.04   0.00    -0.09  -0.02  -0.00     0.00   0.33  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2318              1488.7476              1491.3000
 Red. masses --      1.2303                 1.0516                 1.0438
 Frc consts  --      1.4786                 1.3732                 1.3678
 IR Inten    --      8.3493                 1.5447                 3.2968
 RamAct Fr= 1--      0.5512                 1.6528                 7.5997
  Dep-P Fr= 1--      0.7040                 0.7492                 0.7498
  Dep-U Fr= 1--      0.8263                 0.8566                 0.8570
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0759                 0.2360                 1.0855
 AlphaG Fr= 1--     -0.0008                 0.0010                -0.0004
 Gamma2 Fr= 1--      0.0479                 0.0394                -0.4508
 Delta2 Fr= 1--      0.1414                -0.0249                 0.6757
 Raman1 Fr= 1--       2.205                  6.611                 30.399
 ROA1   Fr= 1--       9.127                  2.985                -21.652
 CID1   Fr= 1--       4.139                  0.451                 -0.712
 Raman2 Fr= 1--       0.911                  2.832                 13.026
 ROA2   Fr= 1--       0.019                  1.144                -16.225
 CID2   Fr= 1--       0.021                  0.404                 -1.246
 Raman3 Fr= 1--       1.822                  5.664                 26.053
 ROA3   Fr= 1--       9.127                  2.985                -21.652
 CID3   Fr= 1--       5.010                  0.527                 -0.831
 RC180  Fr= 1--       0.653                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.11  -0.02    -0.04   0.01  -0.01     0.01  -0.00   0.03
     2   6     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6    -0.02   0.03  -0.02     0.01   0.00   0.00    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00     0.00  -0.02  -0.04
     7   7     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   1     0.06  -0.19   0.00     0.01   0.02   0.00     0.02  -0.01   0.00
    10   1    -0.03  -0.02   0.00     0.04   0.03  -0.00     0.02   0.08  -0.02
    11   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.02  -0.09  -0.04     0.01   0.01  -0.00    -0.00   0.00   0.00
    13   1     0.01   0.09   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.19  -0.18   0.15    -0.14   0.11   0.32    -0.01   0.43   0.37
    15   1    -0.25  -0.10  -0.05    -0.26   0.37  -0.12    -0.37  -0.03  -0.08
    16   1    -0.28   0.02   0.08     0.16   0.01  -0.23     0.33  -0.08   0.31
    17   1     0.14   0.37   0.21     0.00  -0.21  -0.27     0.19   0.20  -0.09
    18   1    -0.15   0.40   0.18     0.06   0.14   0.37    -0.17   0.09  -0.35
    19   1     0.03   0.49  -0.13     0.53   0.00   0.04    -0.20  -0.17   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.2665              1514.3282              1660.1181
 Red. masses --      1.0506                 1.0503                 1.0917
 Frc consts  --      1.4044                 1.4190                 1.7726
 IR Inten    --      4.3139                12.1844                35.1487
 RamAct Fr= 1--      7.2722                 0.3956                 3.0430
  Dep-P Fr= 1--      0.7495                 0.7489                 0.5627
  Dep-U Fr= 1--      0.8568                 0.8564                 0.7201
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0108
 Beta2  Fr= 1--      1.0385                 0.0565                 0.3652
 AlphaG Fr= 1--     -0.0004                -0.0002                -0.0120
 Gamma2 Fr= 1--     -0.7412                 0.4566                -0.2582
 Delta2 Fr= 1--     -0.3745                 0.1792                -0.0640
 Raman1 Fr= 1--      29.089                  1.582                 12.172
 ROA1   Fr= 1--     -83.139                 49.566                -26.833
 CID1   Fr= 1--      -2.858                 31.322                 -2.205
 Raman2 Fr= 1--      12.462                  0.678                  4.383
 ROA2   Fr= 1--     -14.792                  9.523                 -5.685
 CID2   Fr= 1--      -1.187                 14.054                 -1.297
 Raman3 Fr= 1--      24.924                  1.355                  8.765
 ROA3   Fr= 1--     -83.139                 49.566                -26.833
 CID3   Fr= 1--      -3.336                 36.573                 -3.061
 RC180  Fr= 1--       0.714                  0.713                  0.440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.01   0.01  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.02  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.01  -0.01   0.00     0.03   0.01  -0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.07  -0.02
     8   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.04   0.01     0.01  -0.01   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.03     0.07  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.19   0.34   0.57
    13   1    -0.00   0.01   0.00     0.01  -0.01   0.00    -0.39   0.57  -0.19
    14   1    -0.11   0.08   0.24     0.17   0.29  -0.04     0.00   0.00  -0.00
    15   1    -0.18   0.29  -0.09    -0.07  -0.43   0.05    -0.00  -0.00  -0.00
    16   1     0.16   0.01  -0.19     0.10  -0.08   0.54     0.00   0.00  -0.00
    17   1    -0.33  -0.04   0.49    -0.22  -0.22   0.10    -0.00  -0.01  -0.00
    18   1     0.22  -0.36   0.07     0.19  -0.10   0.37     0.00   0.00   0.01
    19   1    -0.36   0.25  -0.09     0.20   0.21  -0.04     0.00   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1808.2396              3012.7248              3027.7790
 Red. masses --      9.5529                 1.0814                 1.0392
 Frc consts  --     18.4034                 5.7831                 5.6132
 IR Inten    --    300.1219                 5.3406                22.5394
 RamAct Fr= 1--     23.8893               166.1364                15.2729
  Dep-P Fr= 1--      0.1716                 0.1856                 0.1055
  Dep-U Fr= 1--      0.2929                 0.3131                 0.1909
 Alpha2 Fr= 1--      0.3494                 2.3434                 0.2638
 Beta2  Fr= 1--      1.1664                 8.6692                 0.4860
 AlphaG Fr= 1--     -0.3591                 0.0511                 0.0340
 Gamma2 Fr= 1--     -0.9098                -0.8022                 0.1623
 Delta2 Fr= 1--      1.1462                -1.7252                -0.4797
 Raman1 Fr= 1--      95.557                664.546                 61.092
 ROA1   Fr= 1--     -50.659               -132.213                  0.236
 CID1   Fr= 1--      -0.530                 -0.199                  0.004
 Raman2 Fr= 1--      13.997                104.031                  5.832
 ROA2   Fr= 1--     -31.003                 -5.450                  7.733
 CID2   Fr= 1--      -2.215                 -0.052                  1.326
 Raman3 Fr= 1--      27.993                208.062                 11.665
 ROA3   Fr= 1--     -50.659               -132.213                  0.236
 CID3   Fr= 1--      -1.810                 -0.635                  0.020
 RC180  Fr= 1--      -0.414                 -0.374                 -0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.02   0.01
     2   6    -0.01   0.01  -0.00     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     3   6    -0.06  -0.03  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6     0.47   0.29   0.44     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8    -0.04  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.02     0.04  -0.00  -0.03
     7   7    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8    -0.27  -0.18  -0.30    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.21   0.14   0.05     0.02  -0.01  -0.14     0.01  -0.00  -0.04
    10   1     0.01  -0.02   0.00    -0.12   0.15   0.93    -0.01   0.02   0.10
    11   1    -0.02   0.07   0.47     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.01  -0.03  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.01   0.01  -0.01     0.01   0.00   0.01    -0.32   0.20  -0.25
    15   1    -0.00  -0.00  -0.00     0.03  -0.04  -0.21    -0.10   0.12   0.63
    16   1    -0.01  -0.00   0.00     0.00   0.02   0.01    -0.00  -0.30  -0.05
    17   1    -0.01  -0.03  -0.02    -0.01   0.01  -0.00     0.19  -0.11   0.12
    18   1     0.01   0.01   0.04     0.02   0.00  -0.00    -0.21  -0.09   0.09
    19   1     0.04   0.01   0.01     0.01  -0.03  -0.14     0.03  -0.06  -0.36
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0319              3070.8018              3084.7338
 Red. masses --      1.0380                 1.0857                 1.0993
 Frc consts  --      5.6262                 6.0321                 6.1630
 IR Inten    --     26.5189                10.7142                14.9337
 RamAct Fr= 1--    239.1644                63.5719                35.6719
  Dep-P Fr= 1--      0.0070                 0.0663                 0.6067
  Dep-U Fr= 1--      0.0139                 0.1243                 0.7552
 Alpha2 Fr= 1--      5.2288                 1.2078                 0.0943
 Beta2  Fr= 1--      0.5528                 1.3175                 4.4899
 AlphaG Fr= 1--     -0.2397                 0.3462                 0.0718
 Gamma2 Fr= 1--     -0.2197                 4.3817                18.0096
 Delta2 Fr= 1--     -0.3304                 3.8620                11.2145
 Raman1 Fr= 1--     956.658                254.288                142.688
 ROA1   Fr= 1--     -31.664                544.228               2087.790
 CID1   Fr= 1--      -0.033                  2.140                 14.632
 Raman2 Fr= 1--       6.633                 15.810                 53.879
 ROA2   Fr= 1--      -2.629                 74.266                342.515
 CID2   Fr= 1--      -0.396                  4.697                  6.357
 Raman3 Fr= 1--      13.266                 31.620                107.759
 ROA3   Fr= 1--     -31.664                544.228               2087.790
 CID3   Fr= 1--      -2.387                 17.212                 19.375
 RC180  Fr= 1--      -0.972                 -0.751                  0.510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.02    -0.00  -0.00   0.01     0.00  -0.01   0.04
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01  -0.00   0.01    -0.04   0.01  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.02  -0.01  -0.08    -0.15   0.06   0.95    -0.01   0.01   0.09
    10   1    -0.02   0.02   0.14    -0.01   0.02   0.12    -0.01   0.01   0.08
    11   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.19   0.12  -0.15    -0.10   0.06  -0.07     0.52  -0.32   0.37
    15   1    -0.06   0.07   0.35     0.01  -0.01  -0.05    -0.10   0.11   0.52
    16   1    -0.01  -0.18  -0.03    -0.00  -0.05  -0.00    -0.00   0.14   0.00
    17   1    -0.33   0.20  -0.21    -0.05   0.03  -0.03    -0.19   0.11  -0.11
    18   1     0.39   0.17  -0.16     0.08   0.03  -0.03     0.14   0.06  -0.05
    19   1    -0.04   0.10   0.56     0.00  -0.01  -0.04     0.02  -0.05  -0.28
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3093.8185              3100.0374              3124.8359
 Red. masses --      1.0996                 1.1016                 1.0987
 Frc consts  --      6.2011                 6.2375                 6.3207
 IR Inten    --     49.4785                33.7244                13.5284
 RamAct Fr= 1--     86.7366                70.9572                58.2118
  Dep-P Fr= 1--      0.5434                 0.7053                 0.6037
  Dep-U Fr= 1--      0.7042                 0.8272                 0.7529
 Alpha2 Fr= 1--      0.3439                 0.0551                 0.1574
 Beta2  Fr= 1--     10.1799                 9.7826                 7.3044
 AlphaG Fr= 1--      0.2535                -0.0629                -0.0553
 Gamma2 Fr= 1--    -21.5126                 5.4955                -2.7775
 Delta2 Fr= 1--    -14.7512                 4.7457                -1.0546
 Raman1 Fr= 1--     346.947                283.829                232.847
 ROA1   Fr= 1--   -2537.250                679.433               -300.390
 CID1   Fr= 1--      -7.313                  2.394                 -1.290
 Raman2 Fr= 1--     122.159                117.391                 87.653
 ROA2   Fr= 1--    -398.294                 93.927                -58.223
 CID2   Fr= 1--      -3.260                  0.800                 -0.664
 Raman3 Fr= 1--     244.317                234.783                175.306
 ROA3   Fr= 1--   -2537.250                679.433               -300.390
 CID3   Fr= 1--     -10.385                  2.894                 -1.714
 RC180  Fr= 1--       0.408                  0.654                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.08    -0.09   0.01  -0.01     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.01     0.02  -0.09  -0.01
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.02   0.01   0.13     0.00  -0.00   0.00    -0.00   0.00   0.01
    10   1    -0.02   0.03   0.18    -0.00   0.00   0.01    -0.01   0.01   0.03
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.21  -0.13   0.15     0.05  -0.03   0.04    -0.23   0.13  -0.18
    15   1    -0.04   0.04   0.22    -0.01   0.01   0.04    -0.03   0.02   0.19
    16   1    -0.00   0.05   0.00     0.00   0.03   0.00     0.04   0.91   0.14
    17   1     0.29  -0.17   0.16     0.55  -0.34   0.35    -0.01   0.01  -0.00
    18   1    -0.44  -0.19   0.15     0.57   0.26  -0.23    -0.00  -0.00   0.00
    19   1    -0.04   0.13   0.63    -0.02   0.01   0.04     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3490.3645              3569.0676              3729.6264
 Red. masses --      1.0484                 1.0938                 1.0642
 Frc consts  --      7.5251                 8.2089                 8.7218
 IR Inten    --      1.3575                 4.3036                66.7126
 RamAct Fr= 1--    124.1187                56.9363               135.7880
  Dep-P Fr= 1--      0.0879                 0.6564                 0.2377
  Dep-U Fr= 1--      0.1616                 0.7926                 0.3841
 Alpha2 Fr= 1--      2.2381                 0.0953                 1.6652
 Beta2  Fr= 1--      3.3435                 7.5211                 8.6936
 AlphaG Fr= 1--      0.6570                 0.1428                 0.1580
 Gamma2 Fr= 1--      2.5428                 0.2216                -1.8818
 Delta2 Fr= 1--      0.7967                -0.4005                 1.3001
 Raman1 Fr= 1--     496.475                227.745                543.152
 ROA1   Fr= 1--     269.602                  8.455               -139.055
 CID1   Fr= 1--       0.543                  0.037                 -0.256
 Raman2 Fr= 1--      40.122                 90.253                104.323
 ROA2   Fr= 1--      54.653                  8.522                -55.565
 CID2   Fr= 1--       1.362                  0.094                 -0.533
 Raman3 Fr= 1--      80.245                180.505                208.646
 ROA3   Fr= 1--     269.602                  8.455               -139.055
 CID3   Fr= 1--       3.360                  0.047                 -0.666
 RC180  Fr= 1--      -0.677                  0.585                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06  -0.03   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.02   0.02  -0.08     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.90   0.41  -0.10
    12   1    -0.41   0.35  -0.40     0.48  -0.39   0.41     0.00  -0.00   0.00
    13   1    -0.16   0.08   0.72    -0.18   0.08   0.64     0.00  -0.00  -0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   633.433281171.676921443.30431
           X            0.99950  -0.02859  -0.01349
           Y            0.02838   0.99948  -0.01560
           Z            0.01393   0.01521   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13674     0.07392     0.06001
 Rotational constants (GHZ):           2.84914     1.54031     1.25042
 Zero-point vibrational energy     430915.6 (Joules/Mol)
                                  102.99130 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     72.12   104.55   240.99   306.48   323.30
          (Kelvin)            374.46   384.32   429.80   504.37   556.19
                              631.14   766.71   855.92   913.56  1112.99
                             1167.85  1219.80  1297.53  1345.52  1369.59
                             1408.48  1540.84  1586.64  1627.77  1693.74
                             1720.75  1797.31  1886.71  1927.20  1951.63
                             1979.57  2015.74  2020.42  2054.91  2141.98
                             2145.65  2167.18  2178.78  2388.54  2601.65
                             4334.64  4356.30  4363.86  4418.20  4438.24
                             4451.31  4460.26  4495.94  5021.86  5135.09
                             5366.10
 
 Zero-point correction=                           0.164127 (Hartree/Particle)
 Thermal correction to Energy=                    0.173697
 Thermal correction to Enthalpy=                  0.174641
 Thermal correction to Gibbs Free Energy=         0.129663
 Sum of electronic and zero-point Energies=           -402.405664
 Sum of electronic and thermal Energies=              -402.396094
 Sum of electronic and thermal Enthalpies=            -402.395150
 Sum of electronic and thermal Free Energies=         -402.440128
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.997             34.516             94.664
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.462
 Vibrational            107.219             28.555             26.015
 Vibration     1          0.595              1.978              4.812
 Vibration     2          0.599              1.967              4.080
 Vibration     3          0.624              1.882              2.463
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.649              1.803              1.921
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.672              1.733              1.615
 Vibration     8          0.692              1.676              1.424
 Vibration     9          0.727              1.574              1.164
 Vibration    10          0.755              1.499              1.013
 Vibration    11          0.799              1.386              0.831
 Vibration    12          0.888              1.177              0.581
 Vibration    13          0.953              1.043              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.228637D-59        -59.640854       -137.328142
 Total V=0       0.711703D+16         15.852299         36.501266
 Vib (Bot)       0.123935D-72        -72.906805       -167.874123
 Vib (Bot)    1  0.412382D+01          0.615300          1.416780
 Vib (Bot)    2  0.283720D+01          0.452890          1.042818
 Vib (Bot)    3  0.120415D+01          0.080682          0.185776
 Vib (Bot)    4  0.931283D+00         -0.030919         -0.071193
 Vib (Bot)    5  0.878519D+00         -0.056249         -0.129517
 Vib (Bot)    6  0.746183D+00         -0.127155         -0.292785
 Vib (Bot)    7  0.724566D+00         -0.139922         -0.322182
 Vib (Bot)    8  0.637083D+00         -0.195804         -0.450856
 Vib (Bot)    9  0.526116D+00         -0.278919         -0.642234
 Vib (Bot)   10  0.465554D+00         -0.332030         -0.764527
 Vib (Bot)   11  0.394504D+00         -0.403949         -0.930127
 Vib (Bot)   12  0.299309D+00         -0.523880         -1.206278
 Vib (Bot)   13  0.252319D+00         -0.598050         -1.377061
 Vib (V=0)       0.385787D+03          2.586347          5.955285
 Vib (V=0)    1  0.465402D+01          0.667829          1.537732
 Vib (V=0)    2  0.338092D+01          0.529035          1.218148
 Vib (V=0)    3  0.180383D+01          0.256197          0.589915
 Vib (V=0)    4  0.155702D+01          0.192294          0.442772
 Vib (V=0)    5  0.151084D+01          0.179218          0.412665
 Vib (V=0)    6  0.139821D+01          0.145574          0.335196
 Vib (V=0)    7  0.138034D+01          0.139986          0.322329
 Vib (V=0)    8  0.130986D+01          0.117225          0.269921
 Vib (V=0)    9  0.122581D+01          0.088423          0.203601
 Vib (V=0)   10  0.118318D+01          0.073052          0.168209
 Vib (V=0)   11  0.113689D+01          0.055720          0.128299
 Vib (V=0)   12  0.108274D+01          0.034524          0.079495
 Vib (V=0)   13  0.106006D+01          0.025330          0.058324
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.370492D+06          5.568779         12.822587
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3  3        33333333                                        1    1 11111111111 111 111                                    
     7     5  4        11000000                                        8    6 55444443333 211 110  9999 887    65 5   43322222 1     
     3     6  9        20987321                                        0    6 10982007531 497 307  7530 417    39 3   38596621 6  75 
     0     9  0        50451383                                        8    0 46198416691 967 131  9252 824    55 3   97197053 7  30 
 
     X     X  X        XXXXXXXX                                        X    X XXXXXXXXXXX XXX XXX  XXXX XXX    XX X   XXXXXXXX    XX 
     X                  XX  XX                                         X    X          X    X XX      X XX     XX                    
     X                   X                                             X                    X X       X XX     XX                    
     X                                                                 X                    X           XX      X                    
                                                                       X                    X            X      X                    
                                                                       X                    X                   X                    
                                                                       X                    X                                        
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002364    0.000008364   -0.000003506
      2        6          -0.000002945   -0.000009678    0.000003667
      3        6           0.000002924   -0.000013778   -0.000005041
      4        6          -0.000004547    0.000003603   -0.000012835
      5        8          -0.000002952   -0.000003254    0.000009153
      6        6           0.000002797    0.000010544   -0.000002968
      7        7          -0.000006620    0.000000976   -0.000001468
      8        8           0.000005026    0.000003555    0.000000832
      9        1           0.000002883   -0.000002730   -0.000000041
     10        1          -0.000004172    0.000000848    0.000000958
     11        1           0.000002099    0.000001112   -0.000002274
     12        1          -0.000002178   -0.000001433    0.000004236
     13        1           0.000003747   -0.000000240    0.000004683
     14        1           0.000001026    0.000000602   -0.000000495
     15        1          -0.000000735    0.000001359    0.000001001
     16        1          -0.000000232   -0.000001171    0.000003035
     17        1           0.000000806    0.000000600   -0.000001403
     18        1          -0.000001030    0.000001914    0.000001580
     19        1           0.000001739   -0.000001191    0.000000886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013778 RMS     0.000004352
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884589D+02  0.318529D+01  0.263760D+00
      2   0.318529D+01  0.796896D+02  0.124144D+01
      3   0.263760D+00  0.124144D+01  0.735704D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.110173D+01 -0.576114D+01  0.252827D+01
      2   0.274272D+01 -0.300797D+01  0.198807D+02
      3   0.677400D+01 -0.381973D+02  0.352021D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.744818D+02 -0.205016D+02  0.633649D+01
      2  -0.293541D+02  0.189670D+02  0.269585D+01
      3  -0.451277D+02  0.153461D+01 -0.903234D+01
      4  -0.240275D+02  0.651360D+02 -0.758769D+01
      5   0.178746D+01 -0.865036D+01  0.229519D+02
      6  -0.231408D+01 -0.155541D+01 -0.131060D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103736D+01  0.504163D+01 -0.328786D+01  0.430966D+01 -0.600423D+00
      2   0.504163D+01 -0.103341D+01  0.435486D+00 -0.600423D+00 -0.296540D+01
      3  -0.328786D+01  0.435486D+00 -0.924219D+00  0.325627D+00 -0.120685D+01
                 6             7             8             9            10 
      1   0.325627D+00 -0.372414D+01  0.564735D+00 -0.119942D+01  0.512354D+00
      2  -0.120685D+01  0.564735D+00 -0.191262D+01  0.298527D+01 -0.433924D+01
      3   0.214227D+01 -0.119942D+01  0.298527D+01  0.519186D+01  0.193854D+01
                11            12            13            14            15 
      1  -0.433924D+01  0.193854D+01 -0.603155D+01  0.889604D+00 -0.127693D+00
      2   0.155165D+01  0.201302D-01  0.889604D+00  0.468458D+01  0.720658D+00
      3   0.201302D-01  0.137610D+01 -0.127693D+00  0.720658D+00 -0.163064D+01
                16            17            18            19            20 
      1   0.385063D+01 -0.978671D-01  0.192293D+01 -0.920205D+00  0.447035D+01
      2  -0.978671D-01  0.130714D+01 -0.197202D+01  0.447035D+01 -0.219923D+00
      3   0.192293D+01 -0.197202D+01 -0.826838D+01 -0.259480D+01 -0.337861D+00
                21            22            23            24            25 
      1  -0.259480D+01  0.317801D+01 -0.190076D+01 -0.711439D+00 -0.293189D+01
      2  -0.337861D+00 -0.190076D+01 -0.471664D+01 -0.147305D+01  0.875762D-02
      3  -0.772797D+00 -0.711439D+00 -0.147305D+01  0.144145D+01 -0.135208D+01
                26            27            28            29            30 
      1   0.875762D-02 -0.135208D+01  0.498882D+00  0.538676D+00  0.391964D+01
      2  -0.180042D+01  0.101542D+01  0.538676D+00  0.372941D+01  0.161187D+01
      3   0.101542D+01  0.685789D+01  0.391964D+01  0.161187D+01  0.259838D+01
                31            32            33            34            35 
      1   0.192970D+01  0.153705D+01  0.179689D+01  0.580940D+01  0.229529D+01
      2   0.153705D+01  0.805322D+00  0.159541D+01  0.229529D+01  0.256479D+01
      3   0.179689D+01  0.159541D+01  0.117327D+01  0.180442D+01  0.386507D+00
                36            37            38            39            40 
      1   0.180442D+01  0.611601D+01  0.197335D+01 -0.142898D+01  0.283273D+01
      2   0.386507D+00  0.197335D+01  0.309729D+00 -0.123359D+01  0.440863D+00
      3   0.955739D-02 -0.142898D+01 -0.123359D+01  0.124595D+01 -0.146337D+01
                41            42            43            44            45 
      1   0.440863D+00 -0.146337D+01  0.168236D+00 -0.258920D+00 -0.504300D+00
      2   0.111744D+01  0.923047D+00 -0.258920D+00  0.250193D+01  0.323041D+00
      3   0.923047D+00  0.857349D+00 -0.504300D+00  0.323041D+00  0.484616D+01
                46            47            48            49            50 
      1  -0.264083D+00  0.368269D+01 -0.263795D+01  0.476208D+01 -0.142148D+01
      2   0.368269D+01 -0.385248D+00  0.486048D+00 -0.142148D+01 -0.574595D+01
      3  -0.263795D+01  0.486048D+00 -0.229360D+01  0.674711D+00 -0.140675D+01
                51            52            53            54            55 
      1   0.674711D+00 -0.467936D+01  0.388684D+00 -0.336523D+01  0.325960D+01
      2  -0.140675D+01  0.388684D+00 -0.147764D+01  0.155342D+01 -0.298902D+01
      3   0.186319D+01 -0.336523D+01  0.155342D+01  0.544858D+01  0.128511D+01
                56            57            58            59            60 
      1  -0.298902D+01  0.128511D+01 -0.101049D+01  0.266166D+01 -0.359134D+00
      2   0.237234D+01 -0.743037D+00  0.266166D+01  0.393510D+01  0.123664D+01
      3  -0.743037D+00  0.250009D+01 -0.359134D+00  0.123664D+01 -0.128317D+01
                61            62            63            64            65 
      1   0.187314D+01 -0.967801D+00  0.289782D+01 -0.748848D+01 -0.302302D+01
      2  -0.967801D+00  0.115070D+01 -0.125900D+01 -0.302302D+01 -0.369639D+01
      3   0.289782D+01 -0.125900D+01 -0.348033D+01 -0.432407D+01 -0.110784D+01
                66            67            68            69            70 
      1  -0.432407D+01 -0.352105D+01 -0.239616D+01 -0.123606D+01 -0.636811D+01
      2  -0.110784D+01 -0.239616D+01 -0.325919D+01 -0.279255D+01 -0.231116D+01
      3  -0.348436D+01 -0.123606D+01 -0.279255D+01 -0.194692D+01 -0.386083D+01
                71            72            73            74            75 
      1  -0.231116D+01 -0.386083D+01  0.631578D+00 -0.525649D+00 -0.862148D+00
      2  -0.454909D+01 -0.200975D+01 -0.525649D+00  0.421746D+00  0.385693D-01
      3  -0.200975D+01 -0.690833D+01 -0.862148D+00  0.385693D-01  0.923753D+00
                76            77            78            79            80 
      1  -0.686982D+00  0.228137D+00  0.663748D-01 -0.139776D+01  0.199181D+00
      2   0.228137D+00  0.454153D+00 -0.967770D+00  0.199181D+00 -0.137738D+01
      3   0.663748D-01 -0.967770D+00 -0.353130D+00  0.450151D+00  0.387828D-01
                81            82            83            84            85 
      1   0.450151D+00 -0.685318D+00  0.888833D+00  0.936758D+00  0.999549D+00
      2   0.387828D-01  0.888833D+00 -0.382605D+00 -0.354372D-01 -0.237603D+00
      3  -0.736665D+01  0.936758D+00 -0.354372D-01 -0.545969D+00 -0.268237D-01
                86            87            88            89            90 
      1  -0.237603D+00 -0.268237D-01  0.149954D+01 -0.106848D+00 -0.382746D+00
      2  -0.177950D+00  0.114123D+01 -0.106848D+00  0.172822D+01  0.859512D+00
      3   0.114123D+01  0.101723D+01 -0.382746D+00  0.859512D+00  0.835127D+01
                91            92            93            94            95 
      1  -0.833748D+01 -0.207146D+01  0.344237D+01 -0.281374D+01 -0.164041D+01
      2  -0.207146D+01 -0.141584D+01  0.885213D+00 -0.164041D+01 -0.101758D+01
      3   0.344237D+01  0.885213D+00 -0.276525D+01  0.131470D+01  0.969697D+00
                96            97            98            99           100 
      1   0.131470D+01  0.110311D+01  0.247916D+00 -0.120320D+01 -0.245953D+01
      2   0.969697D+00  0.247916D+00  0.412806D+00 -0.356814D+00  0.287111D+01
      3  -0.117635D+01 -0.120320D+01 -0.356814D+00  0.178811D+01 -0.124423D+01
               101           102           103           104           105 
      1   0.287111D+01 -0.124423D+01  0.236167D+01 -0.249337D+01  0.977186D+00
      2  -0.373756D+01  0.127316D+01 -0.249337D+01  0.500714D+01 -0.145193D+01
      3   0.127316D+01 -0.125364D+01  0.977186D+00 -0.145193D+01  0.128291D+01
               106           107           108           109           110 
      1  -0.206703D+01  0.172315D+01 -0.147697D+01 -0.287107D+00  0.873894D+00
      2   0.172315D+01 -0.316851D+01  0.195826D+01  0.873894D+00 -0.680404D+00
      3  -0.147697D+01  0.195826D+01 -0.186322D+01  0.470559D+00 -0.529355D+00
               111           112           113           114           115 
      1   0.470559D+00  0.576541D+00 -0.226830D+00 -0.421405D+00  0.136840D+01
      2  -0.529355D+00 -0.226830D+00  0.142740D+01  0.901337D+00 -0.627735D+00
      3  -0.954602D+00 -0.421405D+00  0.901337D+00  0.974979D+00 -0.113491D+01
               116           117           118           119           120 
      1  -0.627735D+00 -0.113491D+01  0.733307D+01 -0.173970D+01  0.247111D+01
      2   0.274417D+01  0.222367D+01 -0.173970D+01  0.126909D+01 -0.560750D+00
      3   0.222367D+01  0.544235D+01  0.247111D+01 -0.560750D+00  0.185532D+01
               121           122           123           124           125 
      1  -0.370162D+01  0.175714D+01 -0.856275D+00  0.440318D+01 -0.684132D+00
      2   0.175714D+01 -0.829071D+00  0.907106D+00 -0.684132D+00  0.115412D+01
      3  -0.856275D+00  0.907106D+00 -0.107397D+01  0.251559D+01 -0.809269D+00
               126           127           128           129           130 
      1   0.251559D+01  0.143501D+01 -0.374708D+00 -0.107949D+01 -0.110359D+01
      2  -0.809269D+00 -0.374708D+00  0.226591D+00  0.307634D-01  0.588561D+00
      3   0.164040D+01 -0.107949D+01  0.307634D-01  0.120041D+01  0.272587D+00
               131           132           133           134           135 
      1   0.588561D+00  0.272587D+00 -0.267154D+01 -0.856748D-01  0.275538D+01
      2   0.121337D+00 -0.823760D+00 -0.856748D-01 -0.127808D+01 -0.356017D+00
      3  -0.823760D+00 -0.999403D+00  0.275538D+01 -0.356017D+00 -0.704884D+01
               136           137           138           139           140 
      1   0.225202D+00  0.114861D+01  0.406801D+00  0.269746D+01  0.200691D+01
      2   0.114861D+01  0.101546D+01  0.568425D-01  0.200691D+01  0.803745D+01
      3   0.406801D+00  0.568425D-01  0.316380D+00  0.496313D-01  0.660665D+00
               141           142           143           144           145 
      1   0.496313D-01  0.847269D+00  0.172940D+00  0.792029D+00  0.447688D+01
      2   0.660665D+00  0.172940D+00  0.917459D+00  0.886846D+00 -0.322425D+01
      3   0.994714D+00  0.792029D+00  0.886846D+00 -0.771273D-01  0.183215D+01
               146           147           148           149           150 
      1  -0.322425D+01  0.183215D+01 -0.232273D+01  0.239792D+01 -0.849452D+00
      2   0.356690D+01 -0.112330D+01  0.239792D+01 -0.336068D+01  0.137597D+01
      3  -0.112330D+01  0.153218D+01 -0.849452D+00  0.137597D+01 -0.116095D+01
               151           152           153           154           155 
      1   0.228459D+01 -0.131937D+01  0.155954D+01 -0.526569D+01 -0.231200D+01
      2  -0.131937D+01  0.236884D+01 -0.174037D+01 -0.231200D+01 -0.327442D+01
      3   0.155954D+01 -0.174037D+01  0.137123D+01  0.138100D+01  0.692021D+00
               156           157           158           159           160 
      1   0.138100D+01 -0.193085D+01 -0.179879D+01  0.502368D+00  0.175591D+01
      2   0.692021D+00 -0.179879D+01 -0.247374D+01  0.860939D+00  0.577748D+00
      3  -0.107335D+01  0.502368D+00  0.860939D+00 -0.882105D+00 -0.887358D+00
               161           162           163           164           165 
      1   0.577748D+00 -0.887358D+00  0.181939D+00 -0.890097D+00 -0.624513D+00
      2   0.150600D+01 -0.120767D+01 -0.890097D+00  0.362891D+00  0.141065D+00
      3  -0.120767D+01  0.596618D+00 -0.624513D+00  0.141065D+00  0.519220D+00
               166           167           168           169           170 
      1  -0.524789D+00  0.207983D+00  0.715678D-01 -0.112357D+01  0.281103D+00
      2   0.207983D+00 -0.104373D+01 -0.117005D+01  0.281103D+00 -0.279244D+01
      3   0.715678D-01 -0.117005D+01 -0.124073D+01  0.669186D+00 -0.251981D+01
               171 
      1   0.669186D+00
      2  -0.251981D+01
      3  -0.653113D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.689181D+01  0.742729D+00 -0.165573D+01  0.490088D+00 -0.531796D+01
      2  -0.383348D+01  0.117543D+01  0.649481D+00  0.458924D+00 -0.105409D+01
      3  -0.961000D+01 -0.143268D+02  0.684913D+01 -0.808736D+01  0.537374D+01
                 6             7             8             9            10 
      1   0.279231D+01 -0.268890D+01  0.998298D+01  0.108182D+02 -0.403497D+00
      2   0.253657D+01 -0.342366D+01  0.362191D+01  0.633878D+01  0.268902D+01
      3   0.772516D+00  0.776047D+01  0.410207D+00 -0.151515D+01  0.771652D+01
                11            12            13            14            15 
      1  -0.172497D+00  0.351269D+00 -0.143262D+01  0.228694D+01 -0.321175D+01
      2  -0.195663D+00  0.499963D+01 -0.129256D+01  0.666321D+00 -0.197878D+01
      3  -0.314114D+01  0.104404D+00  0.290018D+01 -0.573306D+01 -0.126404D+01
                16            17            18            19            20 
      1   0.874899D+00  0.360655D+01 -0.249557D+01 -0.186250D+01 -0.217941D+01
      2  -0.150367D+01 -0.250426D+01 -0.111375D+02  0.408713D+01 -0.316718D+00
      3   0.210695D+01 -0.235962D+01  0.258809D+01 -0.303296D+01 -0.346992D+01
                21            22            23            24            25 
      1   0.299777D+00 -0.102146D+01  0.352734D+01  0.518217D+00  0.105719D+01
      2  -0.221954D+00  0.247798D+01 -0.528535D+00 -0.563612D+00 -0.714469D+01
      3   0.180553D-01 -0.100834D+01 -0.560944D+01  0.221270D+01 -0.313031D+01
                26            27            28            29            30 
      1   0.518944D+01 -0.323690D+01 -0.211006D+01 -0.464018D+01  0.379858D+01
      2  -0.102405D+00 -0.588559D+00 -0.422333D+01 -0.533817D+00 -0.100605D+01
      3   0.242877D+01 -0.106358D+01 -0.827060D+01  0.597041D+01  0.629115D+00
                31            32            33            34            35 
      1   0.155901D+01 -0.187877D+01 -0.945885D+01  0.117353D+01 -0.620727D+01
      2   0.289439D+01 -0.232539D+01 -0.667206D+01  0.108436D+01 -0.235252D+01
      3   0.218406D+02  0.158593D+02 -0.637662D+00 -0.154795D+01 -0.361848D+01
                36            37            38            39            40 
      1   0.424925D+01  0.120534D+01 -0.783920D+00  0.314444D+00 -0.650990D-01
      2  -0.286882D+01 -0.192488D+01  0.696432D+00 -0.338689D+00 -0.145546D+00
      3   0.546098D+00  0.320892D+01 -0.994687D+00 -0.140288D+01 -0.756244D-01
                41            42            43            44            45 
      1   0.533485D+00 -0.117041D+00 -0.226258D+00  0.514548D+01  0.240052D+00
      2  -0.328059D+01 -0.925616D+00 -0.763727D+01 -0.194905D+01 -0.804816D+01
      3  -0.687387D-01  0.302216D+01  0.561084D+00  0.410876D+01  0.914665D+00
                46            47            48            49            50 
      1   0.108860D+01  0.386757D+00  0.585751D+00  0.160551D+01  0.211182D+01
      2  -0.927498D+01  0.151721D+01 -0.547270D+01  0.280897D+01 -0.421935D+01
      3  -0.978446D+01  0.108269D+01 -0.233481D+01  0.103499D+02  0.182936D+02
                51            52            53            54            55 
      1  -0.247972D+01  0.140208D+01  0.134781D+01 -0.268449D+01 -0.112864D+01
      2   0.488174D+01 -0.140507D+02  0.396557D+01  0.152612D+02  0.106419D+01
      3   0.368801D+01 -0.415800D+01  0.481194D+01 -0.623413D+01  0.878266D+01
                56            57            58            59            60 
      1   0.414333D+01 -0.795394D+01  0.311109D+01 -0.418693D+01 -0.223658D+01
      2   0.207703D+01  0.460522D+01 -0.164822D+00  0.556957D+00  0.172864D+01
      3  -0.132879D+02  0.156853D+01  0.213729D+01  0.584350D+01 -0.320480D+01
                61            62            63            64            65 
      1  -0.748435D+01  0.853943D+01  0.839574D+01  0.274049D+01  0.766482D+01
      2  -0.159089D+01  0.456846D+00 -0.122170D+01 -0.280298D+00  0.365490D-01
      3   0.402883D+01 -0.271274D+01  0.715988D+01  0.270836D+01 -0.760607D+01
                66            67            68            69            70 
      1  -0.298233D+01 -0.307770D-01  0.337354D+01 -0.126848D+01  0.116501D+01
      2   0.942859D+01 -0.361281D+01  0.441510D+01  0.551505D+01 -0.276100D+01
      3  -0.369477D+00 -0.367750D+01 -0.895287D+01 -0.263166D+01  0.343650D+00
                71            72            73            74            75 
      1   0.956718D+01 -0.211685D+01  0.928805D+00 -0.331849D+00 -0.455066D+00
      2   0.297422D+01  0.115524D+02  0.610489D+00 -0.607950D+00  0.922696D+00
      3  -0.172703D+01 -0.196414D+01  0.668091D+00 -0.639543D+00 -0.565605D+00
                76            77            78            79            80 
      1  -0.299072D-01  0.197172D+00 -0.363643D+00 -0.674157D+00  0.330520D+01
      2  -0.803899D+00  0.361199D+00 -0.486395D-01 -0.375883D+01  0.285175D+00
      3   0.120604D+01 -0.729830D-01 -0.168989D+00 -0.418105D+00  0.794769D-01
                81            82            83            84            85 
      1   0.350632D+01  0.100694D+01 -0.589126D+00 -0.137983D+00 -0.196023D+00
      2   0.842344D+00  0.213411D+01 -0.585690D+00 -0.456340D+00 -0.108996D+01
      3  -0.685451D-01 -0.953273D+00 -0.711262D+00 -0.278051D+00  0.127759D+01
                86            87            88            89            90 
      1   0.625407D+00 -0.338714D+00 -0.681746D+00  0.402922D+01  0.230830D+01
      2   0.181433D+01  0.123355D+01 -0.481144D+01  0.153099D+01  0.104594D+02
      3   0.119355D+00 -0.118306D+01 -0.213371D+00 -0.173246D+01 -0.680113D+00
                91            92            93            94            95 
      1  -0.697180D+00 -0.168301D+01 -0.783247D+00 -0.114337D+01 -0.154719D+01
      2   0.136759D+01 -0.533868D-01  0.449059D+01  0.270623D+00 -0.353340D+00
      3  -0.138319D+01 -0.399209D+01  0.748128D+00 -0.171045D+01 -0.283895D+01
                96            97            98            99           100 
      1  -0.392075D+00  0.718300D+00  0.933725D+00 -0.297647D+00  0.276978D+01
      2   0.206286D+01 -0.540417D+00 -0.777795D-02 -0.120425D+01 -0.155937D+01
      3   0.111181D+01  0.645527D+00  0.936533D+00 -0.473664D+00 -0.726565D+01
               101           102           103           104           105 
      1  -0.265387D+01  0.418485D+01 -0.268196D+01  0.234583D+01 -0.361778D+01
      2  -0.223933D+00  0.790596D+00  0.235984D+00  0.106629D+00 -0.784235D+00
      3   0.489447D+01 -0.317890D+01  0.763915D+01 -0.539683D+01  0.289496D+01
               106           107           108           109           110 
      1   0.361661D+01 -0.266254D+01  0.387519D+01 -0.164280D+01  0.809990D+00
      2  -0.120913D+01 -0.331404D+00  0.519546D+00  0.789293D+00  0.550515D-01
      3  -0.613955D+01  0.385620D+01 -0.406749D+01 -0.108748D+01  0.703993D+00
               111           112           113           114           115 
      1   0.353394D+01  0.842351D+00 -0.287206D+01 -0.271284D+01  0.319783D+01
      2  -0.214255D+00  0.183806D+00 -0.946397D-01 -0.110007D+00 -0.264979D+01
      3   0.102412D+01  0.150083D+01 -0.113768D+01 -0.109824D+01  0.372398D+01
               116           117           118           119           120 
      1  -0.377968D+01 -0.140478D+02 -0.585144D+00  0.663373D+00 -0.133667D-01
      2   0.309644D+00  0.663039D+00  0.649188D+01 -0.198448D+01  0.781012D+01
      3  -0.158583D+01 -0.360541D+01  0.704780D+01 -0.658347D+01  0.290198D+01
               121           122           123           124           125 
      1  -0.117755D+00 -0.790443D+00 -0.528603D+00 -0.296699D+00  0.169449D+01
      2  -0.227574D+01  0.256018D+01 -0.419732D+01  0.570529D+01 -0.263634D+01
      3  -0.465185D+01  0.405708D+01 -0.275695D+01  0.343006D+01 -0.475282D+01
               126           127           128           129           130 
      1  -0.625244D-01  0.585510D+00 -0.301940D+00 -0.724030D+00  0.492748D-01
      2   0.533474D+01 -0.277899D+01  0.683859D-02  0.459524D+01  0.172141D+00
      3   0.330702D+01  0.151639D+01 -0.171860D+01 -0.628331D+00 -0.846757D+00
               131           132           133           134           135 
      1   0.692399D+00 -0.287860D+00 -0.925111D+00  0.330786D+01  0.301718D+01
      2  -0.210576D+01 -0.282838D+01  0.401263D+01 -0.134870D+01 -0.203676D+02
      3   0.317515D-01  0.190202D+01 -0.550424D+00  0.429307D+01  0.259311D+01
               136           137           138           139           140 
      1  -0.207582D+00 -0.364206D+00 -0.530058D+00 -0.239641D+00 -0.860044D+00
      2   0.133259D+01 -0.705774D-01  0.118526D+01 -0.222967D+00  0.215983D+01
      3  -0.371387D+01 -0.185469D+01  0.616129D-01  0.974930D+00 -0.236153D+02
               141           142           143           144           145 
      1  -0.282273D+01 -0.795569D+00  0.320195D+00  0.828279D-02  0.354332D+01
      2   0.347606D+01  0.425462D+00  0.224371D+01 -0.356267D+00  0.108911D+01
      3  -0.196689D+01  0.421883D+00 -0.263343D+01 -0.141459D+01 -0.639597D+01
               146           147           148           149           150 
      1  -0.122975D+01  0.440178D+01 -0.170894D+01  0.216449D+01 -0.357144D+01
      2  -0.119141D+01  0.345943D+01 -0.431395D+00  0.144407D+01 -0.211502D+01
      3  -0.320765D+00 -0.258352D+01  0.440001D+01 -0.561000D+00  0.410010D+00
               151           152           153           154           155 
      1   0.307001D+01 -0.163435D+01  0.281392D+01  0.284941D+01  0.457245D+00
      2   0.346974D+00 -0.203905D+01  0.192466D+01  0.297285D+01  0.631885D+00
      3  -0.434045D+01 -0.825011D+00 -0.940555D+00  0.171509D+02  0.579820D+01
               156           157           158           159           160 
      1  -0.329513D+01  0.656859D+00  0.115156D+01 -0.267163D+01 -0.220512D+01
      2   0.396369D+00  0.760621D+00  0.108141D+01  0.148373D-01 -0.258214D+01
      3  -0.395309D+01  0.812333D+01  0.538527D+01 -0.203126D+01 -0.515091D+01
               161           162           163           164           165 
      1  -0.901173D+00  0.109429D+01 -0.118898D+01  0.615182D-01  0.106049D+01
      2  -0.994476D+00  0.288021D+00 -0.620580D+00  0.188510D+00  0.116194D+01
      3  -0.203772D+01  0.305907D+01  0.110474D+01  0.351667D+00  0.768389D+00
               166           167           168           169           170 
      1   0.221006D+00 -0.217790D+01 -0.401597D+01  0.129547D+01 -0.193906D+01
      2  -0.223737D+00 -0.120434D+01 -0.122564D+01 -0.214044D+01 -0.271417D+01
      3   0.193735D+01  0.615318D+00  0.106110D+01  0.262664D+01  0.306019D+01
               171 
      1  -0.147637D+02
      2  -0.752293D+01
      3   0.185942D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100168D+02  0.121639D+02 -0.770237D+01  0.912594D+01 -0.109390D+02
      2  -0.174471D+02 -0.500755D+01  0.323236D+01 -0.303196D+01  0.146542D+02
      3   0.743035D+01 -0.715635D+01  0.447000D+01 -0.609398D+01 -0.371520D+01
      4   0.821050D+01 -0.205177D+02  0.132968D+02 -0.179757D+02 -0.240485D+01
      5  -0.727258D+01  0.628373D+01 -0.493065D+01  0.428961D+01 -0.370778D+01
      6   0.161614D+02 -0.175542D+01  0.399317D+01 -0.195295D+01  0.820102D+01
                 6             7             8             9            10 
      1  -0.857981D+00 -0.838131D+01 -0.224308D-01  0.508138D+01 -0.112074D+02
      2   0.553927D+01  0.209284D+01  0.669219D+01 -0.538947D+01  0.862999D+01
      3  -0.468129D+01  0.628847D+01 -0.666976D+01  0.308086D+00  0.257744D+01
      4  -0.418901D+01  0.127967D+02 -0.623647D+01  0.100471D+02 -0.129840D+02
      5   0.569028D+01 -0.621493D+01  0.789858D+01  0.123356D+02  0.539462D+01
      6  -0.896003D+01  0.520290D+01 -0.136743D+02 -0.192172D+02 -0.253861D+01
                11            12            13            14            15 
      1  -0.133891D+02  0.335486D+01 -0.169939D+02  0.969434D+01  0.189030D+01
      2   0.707671D+01 -0.420899D+01  0.104121D+02 -0.102942D+02  0.150218D+00
      3   0.631235D+01  0.854123D+00  0.658186D+01  0.599856D+00 -0.204052D+01
      4   0.517413D+01 -0.122101D+01  0.634644D+01  0.860986D+01  0.176321D+01
      5  -0.249810D+00  0.326441D+01 -0.487246D+00  0.168587D+01 -0.441071D+01
      6   0.342076D+00 -0.144217D+01  0.938958D+00 -0.258087D+01  0.533135D+00
                16            17            18            19            20 
      1   0.917370D+01  0.269732D+01  0.987098D+01 -0.145779D+02 -0.396689D+01
      2  -0.509208D+01 -0.152648D+00  0.580751D+01  0.140199D+02  0.585783D+01
      3  -0.408162D+01 -0.254467D+01 -0.156785D+02  0.557948D+00 -0.189095D+01
      4  -0.164259D+01  0.177236D+01 -0.437188D+01  0.665703D+00  0.129781D+01
      5   0.863535D+01 -0.383918D+01 -0.198146D+02  0.804637D+01  0.159010D+01
      6  -0.633930D+00  0.509305D+01  0.226345D+00  0.204991D+01 -0.226348D+00
                21            22            23            24            25 
      1   0.342780D+01  0.751099D+01  0.118023D+02  0.626535D+01 -0.391542D+01
      2  -0.361384D+01 -0.775643D+01 -0.208251D+02 -0.364796D+01 -0.200849D+00
      3   0.186043D+00  0.245435D+00  0.902280D+01 -0.261739D+01  0.411627D+01
      4   0.270405D+01 -0.104388D+02  0.162920D+00  0.211927D+01  0.166870D+01
      5  -0.132886D+01  0.518760D+01  0.529106D+01 -0.963374D+00  0.633098D+00
      6  -0.234752D+00  0.236871D+01 -0.371772D+00 -0.281002D+01 -0.105958D+00
                26            27            28            29            30 
      1   0.358132D+01  0.605913D+01 -0.767313D+01 -0.307240D+01 -0.862902D+01
      2  -0.389203D+01  0.855349D+01  0.105678D+02  0.542948D+01  0.752485D+01
      3   0.310716D+00 -0.146126D+02 -0.289464D+01 -0.235708D+01  0.110417D+01
      4  -0.228568D+01  0.190590D+00 -0.387007D+01 -0.474180D+01 -0.736101D+01
      5   0.780222D+00  0.271226D+01 -0.207456D+02 -0.884188D+01 -0.182263D+02
      6   0.252167D+01  0.662656D+01 -0.579318D+01 -0.408470D+01 -0.543986D+01
                31            32            33            34            35 
      1  -0.521156D+01 -0.557946D+01 -0.438368D+01 -0.249066D+02 -0.101944D+02
      2   0.291165D+01  0.831350D+01  0.606318D+01  0.116111D+02  0.167982D+01
      3   0.229991D+01 -0.273405D+01 -0.167950D+01  0.132954D+02  0.851456D+01
      4   0.387944D+01 -0.930219D+01 -0.289853D+01 -0.152402D+02 -0.654607D+01
      5  -0.124363D+02 -0.677728D+01 -0.105889D+02 -0.176747D+02 -0.209911D+01
      6  -0.193417D+01 -0.565999D+01  0.532058D+00 -0.538265D-01 -0.863283D+01
                36            37            38            39            40 
      1  -0.112497D+01 -0.204060D+02 -0.773407D+01  0.635018D+01 -0.127625D+02
      2   0.669245D+01  0.917922D+01  0.273310D+01 -0.249719D+01  0.780697D+01
      3  -0.556748D+01  0.112267D+02  0.500097D+01 -0.385299D+01  0.495555D+01
      4  -0.199049D+01 -0.130852D+02 -0.829403D+00  0.669872D+01 -0.819708D+00
      5  -0.500752D+01  0.137347D+02  0.906711D+01 -0.233656D+00  0.102894D+02
      6  -0.298955D+01  0.641805D+01  0.129802D+01 -0.241976D+01  0.211381D+01
                41            42            43            44            45 
      1  -0.605473D+01  0.583506D+01  0.364874D+01  0.185068D+00 -0.134362D+02
      2   0.481793D+01 -0.483726D+01  0.379841D+01  0.449076D+01 -0.106789D+02
      3   0.123680D+01 -0.997798D+00 -0.744715D+01 -0.467583D+01  0.241151D+02
      4  -0.378226D+01 -0.404962D+01  0.617404D+01 -0.290525D+01 -0.428486D+01
      5  -0.265152D+01 -0.461931D+01  0.896626D+01 -0.349538D+01 -0.201156D+02
      6   0.150833D+01  0.579080D+01 -0.303605D+01  0.819032D+01 -0.139696D+01
                46            47            48            49            50 
      1  -0.124838D+01  0.218718D+02 -0.175956D+02  0.265801D+02 -0.402964D+01
      2   0.121356D+01 -0.132174D+02  0.840341D+01 -0.173929D+02 -0.439059D+01
      3   0.348209D-01 -0.865434D+01  0.919220D+01 -0.918725D+01  0.842023D+01
      4   0.225063D+02 -0.272087D+01  0.258134D+01 -0.772501D+01 -0.264670D+02
      5  -0.200433D+02  0.335146D+01 -0.134228D+02  0.467290D+01 -0.922528D+01
      6   0.108641D+00 -0.327934D+00  0.524832D+00 -0.161746D+01 -0.229960D+01
                51            52            53            54            55 
      1   0.609114D+01 -0.241124D+02  0.369231D+01 -0.128985D+02  0.175140D+02
      2  -0.329492D+01  0.996656D+01 -0.179396D+01  0.148774D+02 -0.164889D+02
      3  -0.279622D+01  0.141458D+02 -0.189835D+01 -0.197888D+01 -0.102508D+01
      4  -0.728072D+01  0.391582D+01 -0.618817D+01  0.808606D+01  0.104536D+02
      5   0.107351D+02 -0.212842D+02  0.891976D+01  0.285743D+02 -0.255827D+01
      6   0.107721D+01  0.176722D+00 -0.973883D+00  0.160919D+01  0.533833D+01
                56            57            58            59            60 
      1  -0.375819D+01  0.352318D+00 -0.655011D+01 -0.170589D+02 -0.454363D+01
      2   0.868793D+01 -0.273057D+01  0.131463D+02  0.287903D+02  0.561390D+01
      3  -0.492974D+01  0.237825D+01 -0.659615D+01 -0.117314D+02 -0.107028D+01
      4  -0.581633D+01  0.394910D+01  0.146292D+01  0.123093D+02 -0.442208D+01
      5   0.253443D+01  0.101113D+01 -0.414693D+00 -0.395081D+01  0.243121D+01
      6  -0.490875D+01  0.123910D+02 -0.542082D+01  0.627306D+01  0.437526D+00
                61            62            63            64            65 
      1   0.248961D+01 -0.498761D+00  0.315801D+01  0.396101D+02  0.105677D+02
      2  -0.326933D+01  0.511916D+01 -0.321480D+01 -0.270180D+02 -0.732684D+01
      3   0.779721D+00 -0.462040D+01  0.567886D-01 -0.125921D+02 -0.324089D+01
      4   0.486342D+01 -0.379179D+01  0.101881D+02  0.129608D+02  0.150488D+02
      5   0.119695D+01  0.356112D+01  0.551184D+00  0.288686D+02  0.709055D+01
      6   0.137032D+02 -0.387981D+01 -0.135192D+02  0.544931D+01  0.681269D+01
                66            67            68            69            70 
      1   0.130046D+02  0.554396D+01  0.953986D+00 -0.522481D+00  0.205740D+02
      2  -0.123896D+02 -0.110815D+01  0.510974D+01 -0.223300D+00 -0.191306D+02
      3  -0.615009D+00 -0.443581D+01 -0.606373D+01  0.745781D+00 -0.144338D+01
      4   0.682165D+01  0.166896D+02  0.172401D+02  0.111940D+02  0.981406D+01
      5   0.276698D+02  0.910993D+01  0.129938D+02  0.113080D+02  0.288167D+02
      6   0.503669D+01  0.485024D+01  0.907226D+01  0.113684D+02  0.539354D+01
                71            72            73            74            75 
      1   0.575117D+01  0.103707D+01  0.109234D+01 -0.177424D+00 -0.147144D+00
      2  -0.689650D+01 -0.150025D+02 -0.408976D+01  0.108145D+00  0.143226D+01
      3   0.114532D+01  0.139654D+02  0.299742D+01  0.692796D-01 -0.128512D+01
      4   0.110676D+02  0.746544D+01  0.612591D+00  0.148872D+01 -0.128667D+01
      5   0.977648D+01  0.346807D+02 -0.249998D+01 -0.394597D+00  0.637275D+01
      6   0.125520D+02  0.905841D+01 -0.129645D+01 -0.714645D+00  0.997619D+00
                76            77            78            79            80 
      1   0.215069D+00 -0.431166D+01 -0.515717D+00  0.500371D+00  0.155686D+01
      2   0.119342D+00  0.151105D+01 -0.142265D+01  0.203456D+01 -0.209878D+01
      3  -0.334411D+00  0.280061D+01  0.193837D+01 -0.253493D+01  0.541921D+00
      4   0.182046D+01 -0.399873D+00 -0.546595D+00 -0.608320D+00  0.214354D-01
      5  -0.617768D-01 -0.100503D+01 -0.584482D+00  0.425625D+01  0.344568D+00
      6  -0.584109D+00 -0.202617D+00  0.580030D+01  0.237552D+00  0.384063D+01
                81            82            83            84            85 
      1  -0.153610D+02  0.141557D+01  0.227327D+01  0.277577D+01  0.280382D+01
      2  -0.140037D+02 -0.405549D+01 -0.876643D+00  0.862633D-01 -0.163539D+01
      3   0.293647D+02  0.263992D+01 -0.139663D+01 -0.286203D+01 -0.116843D+01
      4   0.870539D+00  0.230078D+01  0.692201D+00  0.141572D+00  0.110700D+01
      5  -0.309425D+01  0.895450D+00  0.193062D+00  0.466102D+01  0.619652D-01
      6  -0.751164D+01  0.689034D-01 -0.336012D+00 -0.301627D+00 -0.248906D+00
                86            87            88            89            90 
      1  -0.468234D+01 -0.139942D+01  0.456924D+01 -0.582717D+00 -0.165929D+02
      2   0.132342D+01 -0.126128D+01 -0.170657D+01 -0.250760D+01 -0.148517D+02
      3   0.335892D+01  0.266070D+01 -0.286267D+01  0.309032D+01  0.314446D+02
      4  -0.416769D+00  0.215976D+01  0.423829D+00  0.316263D+01  0.242238D+01
      5   0.237529D+01  0.206479D+01  0.271118D+01  0.179743D+01  0.179093D+02
      6   0.183516D+01  0.661903D+01  0.695749D-01  0.362957D+01  0.656213D-01
                91            92            93            94            95 
      1   0.395032D+02  0.877025D+01 -0.135971D+02  0.102521D+02  0.498971D+01
      2  -0.229012D+02 -0.446948D+01  0.100674D+02 -0.457688D+01 -0.102517D+01
      3  -0.166019D+02 -0.430077D+01  0.352977D+01 -0.567518D+01 -0.396454D+01
      4   0.119853D+02  0.800487D+01 -0.498519D+01  0.112030D+02  0.648376D+01
      5  -0.264088D+02 -0.681065D+01  0.168258D+02 -0.947753D+01 -0.604659D+01
      6  -0.589434D+01 -0.362391D+01  0.333541D+01 -0.454318D+01 -0.306426D+01
                96            97            98            99           100 
      1  -0.423684D+01 -0.158390D+01  0.300351D-03  0.275085D+01 -0.237209D+01
      2   0.297026D+01  0.393713D+01  0.826278D+00 -0.473519D+01  0.870316D+01
      3   0.126658D+01 -0.235323D+01 -0.826578D+00  0.198435D+01 -0.633108D+01
      4  -0.489580D+01 -0.115431D+01 -0.129502D+01  0.172536D+01 -0.123343D+02
      5   0.650059D+01  0.868636D+01  0.224030D+01 -0.921779D+01  0.368027D+01
      6   0.357551D+01  0.149787D+01  0.172681D+01 -0.200430D+01 -0.726829D+01
               101           102           103           104           105 
      1   0.728397D+01 -0.212672D+01  0.466315D+01 -0.122029D+02  0.364907D+01
      2  -0.151944D+02  0.423311D+01 -0.103323D+02  0.221375D+02 -0.661896D+01
      3   0.791040D+01 -0.210639D+01  0.566920D+01 -0.993456D+01  0.296989D+01
      4   0.168200D+02 -0.659775D+01  0.132033D+02 -0.136601D+02  0.534750D+01
      5  -0.355921D+01  0.388919D+01 -0.164147D+01  0.302034D+01 -0.192310D+01
      6   0.869024D+01 -0.761417D+01  0.657864D+01 -0.982774D+01  0.798608D+01
               106           107           108           109           110 
      1  -0.364099D+01  0.736768D+01 -0.592586D+01 -0.190856D+01  0.177380D+01
      2   0.500055D+01 -0.101333D+02  0.525310D+01  0.250669D+01 -0.273963D+01
      3  -0.135956D+01  0.276562D+01  0.672766D+00 -0.598134D+00  0.965833D+00
      4  -0.842933D+01  0.833081D+01 -0.711823D+01 -0.162196D+01  0.488617D+01
      5   0.400093D+01 -0.357559D+01  0.362275D+01 -0.124423D+01  0.111567D+01
      6  -0.823077D+01  0.123944D+02 -0.996117D+01  0.185673D+01 -0.329571D+01
               111           112           113           114           115 
      1   0.164594D+01  0.498582D+00 -0.474527D+01 -0.259205D+01  0.136694D+01
      2  -0.149753D+01 -0.964705D+00  0.638232D+01  0.375046D+01 -0.128692D+01
      3  -0.148406D+00  0.466123D+00 -0.163705D+01 -0.115841D+01 -0.800195D-01
      4   0.232655D+01  0.366912D+01 -0.197965D+01 -0.229924D+01  0.478964D+01
      5   0.262399D+01  0.288651D+00 -0.124452D+01 -0.100818D+01  0.240395D+01
      6  -0.525832D+01 -0.259196D+01  0.438572D+01  0.703484D+01 -0.542370D+01
               116           117           118           119           120 
      1  -0.833121D+01 -0.101667D+02  0.533490D+02 -0.114324D+02  0.164552D+02
      2   0.891960D+01  0.267493D+01 -0.291896D+02  0.604239D+01 -0.973136D+01
      3  -0.588387D+00  0.749177D+01 -0.241593D+02  0.538998D+01 -0.672381D+01
      4  -0.382550D+01 -0.427460D+01 -0.113570D+02  0.102740D+02 -0.379382D+01
      5  -0.178247D+01 -0.373551D+01  0.195084D+02 -0.450203D+01  0.154730D+02
      6   0.117847D+02  0.244280D+02 -0.393213D+00  0.703583D+00 -0.679581D-01
               121           122           123           124           125 
      1  -0.220791D+02  0.803120D+01 -0.507673D+01  0.251538D+02 -0.364636D+01
      2   0.119421D+02 -0.201649D+01  0.301271D+01 -0.154461D+02  0.238927D+01
      3   0.101370D+02 -0.601472D+01  0.206402D+01 -0.970768D+01  0.125708D+01
      4   0.131511D+02 -0.743752D+01  0.589353D+01 -0.484595D+01  0.742522D+01
      5  -0.710536D+01  0.607167D+01 -0.785869D+01  0.197346D+02 -0.571934D+01
      6   0.157026D+01 -0.152990D+01  0.186109D+01 -0.781898D+00  0.219318D+01
               126           127           128           129           130 
      1   0.120819D+02  0.885404D+01 -0.252294D+01 -0.599481D+01 -0.616312D+01
      2  -0.108844D+02 -0.745440D+01  0.178315D+01  0.502858D+01  0.413590D+01
      3  -0.119753D+01 -0.139964D+01  0.739795D+00  0.966233D+00  0.202722D+01
      4  -0.497392D+01 -0.216745D+01  0.241157D+01  0.692375D-01  0.441086D+01
      5   0.132051D+02 -0.750608D+01  0.448786D+00  0.122900D+02  0.213205D+01
      6  -0.130020D+01  0.624311D-01 -0.106415D+00  0.618710D+00 -0.155561D+01
               131           132           133           134           135 
      1   0.320074D+00 -0.171680D-01 -0.125834D+02 -0.966133D+00  0.339422D+01
      2  -0.144595D+00 -0.129997D+01  0.115109D+02 -0.246282D+00 -0.176852D+02
      3  -0.175479D+00  0.131714D+01  0.107245D+01  0.121241D+01  0.142910D+02
      4   0.471964D+00 -0.475550D+01 -0.775732D+00 -0.715817D+01 -0.266956D+01
      5  -0.435487D+01 -0.558272D+01  0.206983D+02 -0.253230D+01 -0.411132D+02
      6   0.127861D+01  0.402048D+01  0.338222D+00  0.427728D+01 -0.179816D+01
               136           137           138           139           140 
      1   0.181809D+01  0.401283D+01  0.246864D+01  0.117297D+02 -0.735482D+00
      2   0.202814D+01  0.480098D+00 -0.112832D+01 -0.297761D+01  0.157187D+02
      3  -0.384624D+01 -0.449293D+01 -0.134032D+01 -0.875207D+01 -0.149832D+02
      4   0.510454D+01  0.100995D+02  0.553745D+00  0.164196D+02  0.411828D+02
      5   0.243342D+01  0.199333D+00  0.249539D+01  0.254277D+00  0.461532D+01
      6   0.275484D+00 -0.100958D+00  0.557110D+00  0.778562D+00  0.218864D+01
               141           142           143           144           145 
      1  -0.910001D+00  0.448862D+01 -0.802852D+00  0.926838D+00  0.133409D+02
      2   0.160625D+01 -0.204636D+01  0.110228D+01 -0.813834D+00  0.122325D+01
      3  -0.696248D+00 -0.244226D+01 -0.299427D+00 -0.113005D+00 -0.145642D+02
      4   0.370063D+01  0.116457D+01  0.437556D+01  0.431087D+01 -0.267410D+02
      5   0.628826D+01  0.554450D+01  0.486472D+01 -0.543559D+00  0.932706D+01
      6   0.449802D+01  0.156713D+01  0.556834D+01  0.153841D+01 -0.946397D+01
               146           147           148           149           150 
      1  -0.290338D+01  0.336111D+01 -0.194823D+01 -0.277107D+01  0.151307D+01
      2  -0.918233D+01  0.151780D-01 -0.716610D+01  0.145784D+02 -0.500387D+01
      3   0.120857D+02 -0.337629D+01  0.911433D+01 -0.118074D+02  0.349079D+01
      4   0.243483D+02 -0.103255D+02  0.186678D+02 -0.199341D+02  0.752301D+01
      5  -0.600932D+01  0.828409D+01 -0.407759D+01  0.581356D+01 -0.450961D+01
      6   0.721022D+01 -0.865173D+01  0.571420D+01 -0.901746D+01  0.798881D+01
               151           152           153           154           155 
      1   0.426913D+01  0.258036D+01 -0.814472D+00 -0.861090D+01 -0.137549D+02
      2  -0.570378D+00 -0.709261D+01  0.108698D+01  0.105380D+02  0.174785D+02
      3  -0.369875D+01  0.451225D+01 -0.272512D+00 -0.192708D+01 -0.372360D+01
      4  -0.121787D+02  0.112790D+02 -0.996897D+01  0.152342D+02  0.796319D+01
      5   0.876653D+01 -0.691856D+01  0.723255D+01 -0.118626D+01 -0.138531D+01
      6  -0.815647D+01  0.106803D+02 -0.775926D+01 -0.719657D+01 -0.495373D+01
               156           157           158           159           160 
      1   0.445946D+01 -0.884553D+01 -0.111435D+02  0.348061D+01  0.479189D+01
      2  -0.345178D+01  0.111890D+02  0.162537D+02 -0.452890D+01 -0.269936D+01
      3  -0.100768D+01 -0.234347D+01 -0.511017D+01  0.104829D+01 -0.209252D+01
      4  -0.488344D+01  0.919994D+01  0.550142D+01 -0.137408D+01 -0.558534D+01
      5   0.174142D+01 -0.567446D+00 -0.152728D+00 -0.207789D+00  0.282959D+01
      6   0.612114D+01 -0.348659D+01 -0.541544D+01  0.569011D+01  0.461336D+01
               161           162           163           164           165 
      1   0.562956D+01 -0.551036D+01 -0.564418D+00 -0.175882D+01 -0.151134D+01
      2  -0.680281D+01  0.335356D+01  0.106228D+01  0.213401D+00  0.104994D+01
      3   0.117325D+01  0.215680D+01 -0.497862D+00  0.154542D+01  0.461405D+00
      4  -0.485041D+00  0.162148D+01 -0.268793D+01  0.580636D+01  0.255302D+01
      5  -0.680511D+00 -0.186591D+01 -0.216013D+01  0.112002D+01  0.511072D+01
      6   0.755942D+01 -0.355533D+01  0.205545D+01 -0.622294D+00 -0.214533D+01
               166           167           168           169           170 
      1  -0.492768D+00 -0.466403D+01 -0.449653D+01 -0.207787D+01 -0.882472D+01
      2  -0.473770D+00  0.535815D+01  0.508806D+01  0.132060D+01  0.956953D+01
      3   0.966538D+00 -0.694116D+00 -0.591528D+00  0.757271D+00 -0.744809D+00
      4   0.418741D+01 -0.299244D+01 -0.272601D+01  0.484961D+01 -0.671749D+01
      5  -0.169459D-01 -0.275053D+01 -0.276138D+01  0.575227D+01 -0.635545D+01
      6  -0.713866D+00  0.646830D+01  0.105271D+02 -0.319221D+01  0.148387D+02
               171 
      1  -0.115763D+02
      2  -0.867068D-01
      3   0.116630D+02
      4  -0.727545D+01
      5  -0.160521D+02
      6   0.287019D+02
 Leave Link  716 at Sun Sep 26 20:00:45 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884589D+02  0.318529D+01  0.263760D+00
      2   0.318529D+01  0.796896D+02  0.124144D+01
      3   0.263760D+00  0.124144D+01  0.735704D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.110173D+01 -0.576114D+01  0.252827D+01
      2   0.274272D+01 -0.300797D+01  0.198807D+02
      3   0.677400D+01 -0.381973D+02  0.352021D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.744818D+02 -0.205016D+02  0.633649D+01
      2  -0.293541D+02  0.189670D+02  0.269585D+01
      3  -0.451277D+02  0.153461D+01 -0.903234D+01
      4  -0.240275D+02  0.651360D+02 -0.758769D+01
      5   0.178746D+01 -0.865036D+01  0.229519D+02
      6  -0.231408D+01 -0.155541D+01 -0.131060D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103736D+01  0.504163D+01 -0.328786D+01  0.430966D+01 -0.600423D+00
      2   0.504163D+01 -0.103341D+01  0.435486D+00 -0.600423D+00 -0.296540D+01
      3  -0.328786D+01  0.435486D+00 -0.924219D+00  0.325627D+00 -0.120685D+01
                 6             7             8             9            10 
      1   0.325627D+00 -0.372414D+01  0.564735D+00 -0.119942D+01  0.512354D+00
      2  -0.120685D+01  0.564735D+00 -0.191262D+01  0.298527D+01 -0.433924D+01
      3   0.214227D+01 -0.119942D+01  0.298527D+01  0.519186D+01  0.193854D+01
                11            12            13            14            15 
      1  -0.433924D+01  0.193854D+01 -0.603155D+01  0.889604D+00 -0.127693D+00
      2   0.155165D+01  0.201302D-01  0.889604D+00  0.468458D+01  0.720658D+00
      3   0.201302D-01  0.137610D+01 -0.127693D+00  0.720658D+00 -0.163064D+01
                16            17            18            19            20 
      1   0.385063D+01 -0.978671D-01  0.192293D+01 -0.920205D+00  0.447035D+01
      2  -0.978671D-01  0.130714D+01 -0.197202D+01  0.447035D+01 -0.219923D+00
      3   0.192293D+01 -0.197202D+01 -0.826838D+01 -0.259480D+01 -0.337861D+00
                21            22            23            24            25 
      1  -0.259480D+01  0.317801D+01 -0.190076D+01 -0.711439D+00 -0.293189D+01
      2  -0.337861D+00 -0.190076D+01 -0.471664D+01 -0.147305D+01  0.875762D-02
      3  -0.772797D+00 -0.711439D+00 -0.147305D+01  0.144145D+01 -0.135208D+01
                26            27            28            29            30 
      1   0.875762D-02 -0.135208D+01  0.498882D+00  0.538676D+00  0.391964D+01
      2  -0.180042D+01  0.101542D+01  0.538676D+00  0.372941D+01  0.161187D+01
      3   0.101542D+01  0.685789D+01  0.391964D+01  0.161187D+01  0.259838D+01
                31            32            33            34            35 
      1   0.192970D+01  0.153705D+01  0.179689D+01  0.580940D+01  0.229529D+01
      2   0.153705D+01  0.805322D+00  0.159541D+01  0.229529D+01  0.256479D+01
      3   0.179689D+01  0.159541D+01  0.117327D+01  0.180442D+01  0.386507D+00
                36            37            38            39            40 
      1   0.180442D+01  0.611601D+01  0.197335D+01 -0.142898D+01  0.283273D+01
      2   0.386507D+00  0.197335D+01  0.309729D+00 -0.123359D+01  0.440863D+00
      3   0.955739D-02 -0.142898D+01 -0.123359D+01  0.124595D+01 -0.146337D+01
                41            42            43            44            45 
      1   0.440863D+00 -0.146337D+01  0.168236D+00 -0.258920D+00 -0.504300D+00
      2   0.111744D+01  0.923047D+00 -0.258920D+00  0.250193D+01  0.323041D+00
      3   0.923047D+00  0.857349D+00 -0.504300D+00  0.323041D+00  0.484616D+01
                46            47            48            49            50 
      1  -0.264083D+00  0.368269D+01 -0.263795D+01  0.476208D+01 -0.142148D+01
      2   0.368269D+01 -0.385248D+00  0.486048D+00 -0.142148D+01 -0.574595D+01
      3  -0.263795D+01  0.486048D+00 -0.229360D+01  0.674711D+00 -0.140675D+01
                51            52            53            54            55 
      1   0.674711D+00 -0.467936D+01  0.388684D+00 -0.336523D+01  0.325960D+01
      2  -0.140675D+01  0.388684D+00 -0.147764D+01  0.155342D+01 -0.298902D+01
      3   0.186319D+01 -0.336523D+01  0.155342D+01  0.544858D+01  0.128511D+01
                56            57            58            59            60 
      1  -0.298902D+01  0.128511D+01 -0.101049D+01  0.266166D+01 -0.359134D+00
      2   0.237234D+01 -0.743037D+00  0.266166D+01  0.393510D+01  0.123664D+01
      3  -0.743037D+00  0.250009D+01 -0.359134D+00  0.123664D+01 -0.128317D+01
                61            62            63            64            65 
      1   0.187314D+01 -0.967801D+00  0.289782D+01 -0.748848D+01 -0.302302D+01
      2  -0.967801D+00  0.115070D+01 -0.125900D+01 -0.302302D+01 -0.369639D+01
      3   0.289782D+01 -0.125900D+01 -0.348033D+01 -0.432407D+01 -0.110784D+01
                66            67            68            69            70 
      1  -0.432407D+01 -0.352105D+01 -0.239616D+01 -0.123606D+01 -0.636811D+01
      2  -0.110784D+01 -0.239616D+01 -0.325919D+01 -0.279255D+01 -0.231116D+01
      3  -0.348436D+01 -0.123606D+01 -0.279255D+01 -0.194692D+01 -0.386083D+01
                71            72            73            74            75 
      1  -0.231116D+01 -0.386083D+01  0.631578D+00 -0.525649D+00 -0.862148D+00
      2  -0.454909D+01 -0.200975D+01 -0.525649D+00  0.421746D+00  0.385693D-01
      3  -0.200975D+01 -0.690833D+01 -0.862148D+00  0.385693D-01  0.923753D+00
                76            77            78            79            80 
      1  -0.686982D+00  0.228137D+00  0.663748D-01 -0.139776D+01  0.199181D+00
      2   0.228137D+00  0.454153D+00 -0.967770D+00  0.199181D+00 -0.137738D+01
      3   0.663748D-01 -0.967770D+00 -0.353130D+00  0.450151D+00  0.387828D-01
                81            82            83            84            85 
      1   0.450151D+00 -0.685318D+00  0.888833D+00  0.936758D+00  0.999549D+00
      2   0.387828D-01  0.888833D+00 -0.382605D+00 -0.354372D-01 -0.237603D+00
      3  -0.736665D+01  0.936758D+00 -0.354372D-01 -0.545969D+00 -0.268237D-01
                86            87            88            89            90 
      1  -0.237603D+00 -0.268237D-01  0.149954D+01 -0.106848D+00 -0.382746D+00
      2  -0.177950D+00  0.114123D+01 -0.106848D+00  0.172822D+01  0.859512D+00
      3   0.114123D+01  0.101723D+01 -0.382746D+00  0.859512D+00  0.835127D+01
                91            92            93            94            95 
      1  -0.833748D+01 -0.207146D+01  0.344237D+01 -0.281374D+01 -0.164041D+01
      2  -0.207146D+01 -0.141584D+01  0.885213D+00 -0.164041D+01 -0.101758D+01
      3   0.344237D+01  0.885213D+00 -0.276525D+01  0.131470D+01  0.969697D+00
                96            97            98            99           100 
      1   0.131470D+01  0.110311D+01  0.247916D+00 -0.120320D+01 -0.245953D+01
      2   0.969697D+00  0.247916D+00  0.412806D+00 -0.356814D+00  0.287111D+01
      3  -0.117635D+01 -0.120320D+01 -0.356814D+00  0.178811D+01 -0.124423D+01
               101           102           103           104           105 
      1   0.287111D+01 -0.124423D+01  0.236167D+01 -0.249337D+01  0.977186D+00
      2  -0.373756D+01  0.127316D+01 -0.249337D+01  0.500714D+01 -0.145193D+01
      3   0.127316D+01 -0.125364D+01  0.977186D+00 -0.145193D+01  0.128291D+01
               106           107           108           109           110 
      1  -0.206703D+01  0.172315D+01 -0.147697D+01 -0.287107D+00  0.873894D+00
      2   0.172315D+01 -0.316851D+01  0.195826D+01  0.873894D+00 -0.680404D+00
      3  -0.147697D+01  0.195826D+01 -0.186322D+01  0.470559D+00 -0.529355D+00
               111           112           113           114           115 
      1   0.470559D+00  0.576541D+00 -0.226830D+00 -0.421405D+00  0.136840D+01
      2  -0.529355D+00 -0.226830D+00  0.142740D+01  0.901337D+00 -0.627735D+00
      3  -0.954602D+00 -0.421405D+00  0.901337D+00  0.974979D+00 -0.113491D+01
               116           117           118           119           120 
      1  -0.627735D+00 -0.113491D+01  0.733307D+01 -0.173970D+01  0.247111D+01
      2   0.274417D+01  0.222367D+01 -0.173970D+01  0.126909D+01 -0.560750D+00
      3   0.222367D+01  0.544235D+01  0.247111D+01 -0.560750D+00  0.185532D+01
               121           122           123           124           125 
      1  -0.370162D+01  0.175714D+01 -0.856275D+00  0.440318D+01 -0.684132D+00
      2   0.175714D+01 -0.829071D+00  0.907106D+00 -0.684132D+00  0.115412D+01
      3  -0.856275D+00  0.907106D+00 -0.107397D+01  0.251559D+01 -0.809269D+00
               126           127           128           129           130 
      1   0.251559D+01  0.143501D+01 -0.374708D+00 -0.107949D+01 -0.110359D+01
      2  -0.809269D+00 -0.374708D+00  0.226591D+00  0.307634D-01  0.588561D+00
      3   0.164040D+01 -0.107949D+01  0.307634D-01  0.120041D+01  0.272587D+00
               131           132           133           134           135 
      1   0.588561D+00  0.272587D+00 -0.267154D+01 -0.856748D-01  0.275538D+01
      2   0.121337D+00 -0.823760D+00 -0.856748D-01 -0.127808D+01 -0.356017D+00
      3  -0.823760D+00 -0.999403D+00  0.275538D+01 -0.356017D+00 -0.704884D+01
               136           137           138           139           140 
      1   0.225202D+00  0.114861D+01  0.406801D+00  0.269746D+01  0.200691D+01
      2   0.114861D+01  0.101546D+01  0.568425D-01  0.200691D+01  0.803745D+01
      3   0.406801D+00  0.568425D-01  0.316380D+00  0.496313D-01  0.660665D+00
               141           142           143           144           145 
      1   0.496313D-01  0.847269D+00  0.172940D+00  0.792029D+00  0.447688D+01
      2   0.660665D+00  0.172940D+00  0.917459D+00  0.886846D+00 -0.322425D+01
      3   0.994714D+00  0.792029D+00  0.886846D+00 -0.771273D-01  0.183215D+01
               146           147           148           149           150 
      1  -0.322425D+01  0.183215D+01 -0.232273D+01  0.239792D+01 -0.849452D+00
      2   0.356690D+01 -0.112330D+01  0.239792D+01 -0.336068D+01  0.137597D+01
      3  -0.112330D+01  0.153218D+01 -0.849452D+00  0.137597D+01 -0.116095D+01
               151           152           153           154           155 
      1   0.228459D+01 -0.131937D+01  0.155954D+01 -0.526569D+01 -0.231200D+01
      2  -0.131937D+01  0.236884D+01 -0.174037D+01 -0.231200D+01 -0.327442D+01
      3   0.155954D+01 -0.174037D+01  0.137123D+01  0.138100D+01  0.692021D+00
               156           157           158           159           160 
      1   0.138100D+01 -0.193085D+01 -0.179879D+01  0.502368D+00  0.175591D+01
      2   0.692021D+00 -0.179879D+01 -0.247374D+01  0.860939D+00  0.577748D+00
      3  -0.107335D+01  0.502368D+00  0.860939D+00 -0.882105D+00 -0.887358D+00
               161           162           163           164           165 
      1   0.577748D+00 -0.887358D+00  0.181939D+00 -0.890097D+00 -0.624513D+00
      2   0.150600D+01 -0.120767D+01 -0.890097D+00  0.362891D+00  0.141065D+00
      3  -0.120767D+01  0.596618D+00 -0.624513D+00  0.141065D+00  0.519220D+00
               166           167           168           169           170 
      1  -0.524789D+00  0.207983D+00  0.715678D-01 -0.112357D+01  0.281103D+00
      2   0.207983D+00 -0.104373D+01 -0.117005D+01  0.281103D+00 -0.279244D+01
      3   0.715678D-01 -0.117005D+01 -0.124073D+01  0.669186D+00 -0.251981D+01
               171 
      1   0.669186D+00
      2  -0.251981D+01
      3  -0.653113D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.689181D+01  0.742729D+00 -0.165573D+01  0.490088D+00 -0.531796D+01
      2  -0.383348D+01  0.117543D+01  0.649481D+00  0.458924D+00 -0.105409D+01
      3  -0.961000D+01 -0.143268D+02  0.684913D+01 -0.808736D+01  0.537374D+01
                 6             7             8             9            10 
      1   0.279231D+01 -0.268890D+01  0.998298D+01  0.108182D+02 -0.403497D+00
      2   0.253657D+01 -0.342366D+01  0.362191D+01  0.633878D+01  0.268902D+01
      3   0.772516D+00  0.776047D+01  0.410207D+00 -0.151515D+01  0.771652D+01
                11            12            13            14            15 
      1  -0.172497D+00  0.351269D+00 -0.143262D+01  0.228694D+01 -0.321175D+01
      2  -0.195663D+00  0.499963D+01 -0.129256D+01  0.666321D+00 -0.197878D+01
      3  -0.314114D+01  0.104404D+00  0.290018D+01 -0.573306D+01 -0.126404D+01
                16            17            18            19            20 
      1   0.874899D+00  0.360655D+01 -0.249557D+01 -0.186250D+01 -0.217941D+01
      2  -0.150367D+01 -0.250426D+01 -0.111375D+02  0.408713D+01 -0.316718D+00
      3   0.210695D+01 -0.235962D+01  0.258809D+01 -0.303296D+01 -0.346992D+01
                21            22            23            24            25 
      1   0.299777D+00 -0.102146D+01  0.352734D+01  0.518217D+00  0.105719D+01
      2  -0.221954D+00  0.247798D+01 -0.528535D+00 -0.563612D+00 -0.714469D+01
      3   0.180553D-01 -0.100834D+01 -0.560944D+01  0.221270D+01 -0.313031D+01
                26            27            28            29            30 
      1   0.518944D+01 -0.323690D+01 -0.211006D+01 -0.464018D+01  0.379858D+01
      2  -0.102405D+00 -0.588559D+00 -0.422333D+01 -0.533817D+00 -0.100605D+01
      3   0.242877D+01 -0.106358D+01 -0.827060D+01  0.597041D+01  0.629115D+00
                31            32            33            34            35 
      1   0.155901D+01 -0.187877D+01 -0.945885D+01  0.117353D+01 -0.620727D+01
      2   0.289439D+01 -0.232539D+01 -0.667206D+01  0.108436D+01 -0.235252D+01
      3   0.218406D+02  0.158593D+02 -0.637662D+00 -0.154795D+01 -0.361848D+01
                36            37            38            39            40 
      1   0.424925D+01  0.120534D+01 -0.783920D+00  0.314444D+00 -0.650990D-01
      2  -0.286882D+01 -0.192488D+01  0.696432D+00 -0.338689D+00 -0.145546D+00
      3   0.546098D+00  0.320892D+01 -0.994687D+00 -0.140288D+01 -0.756244D-01
                41            42            43            44            45 
      1   0.533485D+00 -0.117041D+00 -0.226258D+00  0.514548D+01  0.240052D+00
      2  -0.328059D+01 -0.925616D+00 -0.763727D+01 -0.194905D+01 -0.804816D+01
      3  -0.687387D-01  0.302216D+01  0.561084D+00  0.410876D+01  0.914665D+00
                46            47            48            49            50 
      1   0.108860D+01  0.386757D+00  0.585751D+00  0.160551D+01  0.211182D+01
      2  -0.927498D+01  0.151721D+01 -0.547270D+01  0.280897D+01 -0.421935D+01
      3  -0.978446D+01  0.108269D+01 -0.233481D+01  0.103499D+02  0.182936D+02
                51            52            53            54            55 
      1  -0.247972D+01  0.140208D+01  0.134781D+01 -0.268449D+01 -0.112864D+01
      2   0.488174D+01 -0.140507D+02  0.396557D+01  0.152612D+02  0.106419D+01
      3   0.368801D+01 -0.415800D+01  0.481194D+01 -0.623413D+01  0.878266D+01
                56            57            58            59            60 
      1   0.414333D+01 -0.795394D+01  0.311109D+01 -0.418693D+01 -0.223658D+01
      2   0.207703D+01  0.460522D+01 -0.164822D+00  0.556957D+00  0.172864D+01
      3  -0.132879D+02  0.156853D+01  0.213729D+01  0.584350D+01 -0.320480D+01
                61            62            63            64            65 
      1  -0.748435D+01  0.853943D+01  0.839574D+01  0.274049D+01  0.766482D+01
      2  -0.159089D+01  0.456846D+00 -0.122170D+01 -0.280298D+00  0.365490D-01
      3   0.402883D+01 -0.271274D+01  0.715988D+01  0.270836D+01 -0.760607D+01
                66            67            68            69            70 
      1  -0.298233D+01 -0.307770D-01  0.337354D+01 -0.126848D+01  0.116501D+01
      2   0.942859D+01 -0.361281D+01  0.441510D+01  0.551505D+01 -0.276100D+01
      3  -0.369477D+00 -0.367750D+01 -0.895287D+01 -0.263166D+01  0.343650D+00
                71            72            73            74            75 
      1   0.956718D+01 -0.211685D+01  0.928805D+00 -0.331849D+00 -0.455066D+00
      2   0.297422D+01  0.115524D+02  0.610489D+00 -0.607950D+00  0.922696D+00
      3  -0.172703D+01 -0.196414D+01  0.668091D+00 -0.639543D+00 -0.565605D+00
                76            77            78            79            80 
      1  -0.299072D-01  0.197172D+00 -0.363643D+00 -0.674157D+00  0.330520D+01
      2  -0.803899D+00  0.361199D+00 -0.486395D-01 -0.375883D+01  0.285175D+00
      3   0.120604D+01 -0.729830D-01 -0.168989D+00 -0.418105D+00  0.794769D-01
                81            82            83            84            85 
      1   0.350632D+01  0.100694D+01 -0.589126D+00 -0.137983D+00 -0.196023D+00
      2   0.842344D+00  0.213411D+01 -0.585690D+00 -0.456340D+00 -0.108996D+01
      3  -0.685451D-01 -0.953273D+00 -0.711262D+00 -0.278051D+00  0.127759D+01
                86            87            88            89            90 
      1   0.625407D+00 -0.338714D+00 -0.681746D+00  0.402922D+01  0.230830D+01
      2   0.181433D+01  0.123355D+01 -0.481144D+01  0.153099D+01  0.104594D+02
      3   0.119355D+00 -0.118306D+01 -0.213371D+00 -0.173246D+01 -0.680113D+00
                91            92            93            94            95 
      1  -0.697180D+00 -0.168301D+01 -0.783247D+00 -0.114337D+01 -0.154719D+01
      2   0.136759D+01 -0.533868D-01  0.449059D+01  0.270623D+00 -0.353340D+00
      3  -0.138319D+01 -0.399209D+01  0.748128D+00 -0.171045D+01 -0.283895D+01
                96            97            98            99           100 
      1  -0.392075D+00  0.718300D+00  0.933725D+00 -0.297647D+00  0.276978D+01
      2   0.206286D+01 -0.540417D+00 -0.777795D-02 -0.120425D+01 -0.155937D+01
      3   0.111181D+01  0.645527D+00  0.936533D+00 -0.473664D+00 -0.726565D+01
               101           102           103           104           105 
      1  -0.265387D+01  0.418485D+01 -0.268196D+01  0.234583D+01 -0.361778D+01
      2  -0.223933D+00  0.790596D+00  0.235984D+00  0.106629D+00 -0.784235D+00
      3   0.489447D+01 -0.317890D+01  0.763915D+01 -0.539683D+01  0.289496D+01
               106           107           108           109           110 
      1   0.361661D+01 -0.266254D+01  0.387519D+01 -0.164280D+01  0.809990D+00
      2  -0.120913D+01 -0.331404D+00  0.519546D+00  0.789293D+00  0.550515D-01
      3  -0.613955D+01  0.385620D+01 -0.406749D+01 -0.108748D+01  0.703993D+00
               111           112           113           114           115 
      1   0.353394D+01  0.842351D+00 -0.287206D+01 -0.271284D+01  0.319783D+01
      2  -0.214255D+00  0.183806D+00 -0.946397D-01 -0.110007D+00 -0.264979D+01
      3   0.102412D+01  0.150083D+01 -0.113768D+01 -0.109824D+01  0.372398D+01
               116           117           118           119           120 
      1  -0.377968D+01 -0.140478D+02 -0.585144D+00  0.663373D+00 -0.133667D-01
      2   0.309644D+00  0.663039D+00  0.649188D+01 -0.198448D+01  0.781012D+01
      3  -0.158583D+01 -0.360541D+01  0.704780D+01 -0.658347D+01  0.290198D+01
               121           122           123           124           125 
      1  -0.117755D+00 -0.790443D+00 -0.528603D+00 -0.296699D+00  0.169449D+01
      2  -0.227574D+01  0.256018D+01 -0.419732D+01  0.570529D+01 -0.263634D+01
      3  -0.465185D+01  0.405708D+01 -0.275695D+01  0.343006D+01 -0.475282D+01
               126           127           128           129           130 
      1  -0.625244D-01  0.585510D+00 -0.301940D+00 -0.724030D+00  0.492748D-01
      2   0.533474D+01 -0.277899D+01  0.683859D-02  0.459524D+01  0.172141D+00
      3   0.330702D+01  0.151639D+01 -0.171860D+01 -0.628331D+00 -0.846757D+00
               131           132           133           134           135 
      1   0.692399D+00 -0.287860D+00 -0.925111D+00  0.330786D+01  0.301718D+01
      2  -0.210576D+01 -0.282838D+01  0.401263D+01 -0.134870D+01 -0.203676D+02
      3   0.317515D-01  0.190202D+01 -0.550424D+00  0.429307D+01  0.259311D+01
               136           137           138           139           140 
      1  -0.207582D+00 -0.364206D+00 -0.530058D+00 -0.239641D+00 -0.860044D+00
      2   0.133259D+01 -0.705774D-01  0.118526D+01 -0.222967D+00  0.215983D+01
      3  -0.371387D+01 -0.185469D+01  0.616129D-01  0.974930D+00 -0.236153D+02
               141           142           143           144           145 
      1  -0.282273D+01 -0.795569D+00  0.320195D+00  0.828279D-02  0.354332D+01
      2   0.347606D+01  0.425462D+00  0.224371D+01 -0.356267D+00  0.108911D+01
      3  -0.196689D+01  0.421883D+00 -0.263343D+01 -0.141459D+01 -0.639597D+01
               146           147           148           149           150 
      1  -0.122975D+01  0.440178D+01 -0.170894D+01  0.216449D+01 -0.357144D+01
      2  -0.119141D+01  0.345943D+01 -0.431395D+00  0.144407D+01 -0.211502D+01
      3  -0.320765D+00 -0.258352D+01  0.440001D+01 -0.561000D+00  0.410010D+00
               151           152           153           154           155 
      1   0.307001D+01 -0.163435D+01  0.281392D+01  0.284941D+01  0.457245D+00
      2   0.346974D+00 -0.203905D+01  0.192466D+01  0.297285D+01  0.631885D+00
      3  -0.434045D+01 -0.825011D+00 -0.940555D+00  0.171509D+02  0.579820D+01
               156           157           158           159           160 
      1  -0.329513D+01  0.656859D+00  0.115156D+01 -0.267163D+01 -0.220512D+01
      2   0.396369D+00  0.760621D+00  0.108141D+01  0.148373D-01 -0.258214D+01
      3  -0.395309D+01  0.812333D+01  0.538527D+01 -0.203126D+01 -0.515091D+01
               161           162           163           164           165 
      1  -0.901173D+00  0.109429D+01 -0.118898D+01  0.615182D-01  0.106049D+01
      2  -0.994476D+00  0.288021D+00 -0.620580D+00  0.188510D+00  0.116194D+01
      3  -0.203772D+01  0.305907D+01  0.110474D+01  0.351667D+00  0.768389D+00
               166           167           168           169           170 
      1   0.221006D+00 -0.217790D+01 -0.401597D+01  0.129547D+01 -0.193906D+01
      2  -0.223737D+00 -0.120434D+01 -0.122564D+01 -0.214044D+01 -0.271417D+01
      3   0.193735D+01  0.615318D+00  0.106110D+01  0.262664D+01  0.306019D+01
               171 
      1  -0.147637D+02
      2  -0.752293D+01
      3   0.185942D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100168D+02  0.121639D+02 -0.770237D+01  0.912594D+01 -0.109390D+02
      2  -0.174471D+02 -0.500755D+01  0.323236D+01 -0.303196D+01  0.146542D+02
      3   0.743035D+01 -0.715635D+01  0.447000D+01 -0.609398D+01 -0.371520D+01
      4   0.821050D+01 -0.205177D+02  0.132968D+02 -0.179757D+02 -0.240485D+01
      5  -0.727258D+01  0.628373D+01 -0.493065D+01  0.428961D+01 -0.370778D+01
      6   0.161614D+02 -0.175542D+01  0.399317D+01 -0.195295D+01  0.820102D+01
                 6             7             8             9            10 
      1  -0.857981D+00 -0.838131D+01 -0.224308D-01  0.508138D+01 -0.112074D+02
      2   0.553927D+01  0.209284D+01  0.669219D+01 -0.538947D+01  0.862999D+01
      3  -0.468129D+01  0.628847D+01 -0.666976D+01  0.308086D+00  0.257744D+01
      4  -0.418901D+01  0.127967D+02 -0.623647D+01  0.100471D+02 -0.129840D+02
      5   0.569028D+01 -0.621493D+01  0.789858D+01  0.123356D+02  0.539462D+01
      6  -0.896003D+01  0.520290D+01 -0.136743D+02 -0.192172D+02 -0.253861D+01
                11            12            13            14            15 
      1  -0.133891D+02  0.335486D+01 -0.169939D+02  0.969434D+01  0.189030D+01
      2   0.707671D+01 -0.420899D+01  0.104121D+02 -0.102942D+02  0.150218D+00
      3   0.631235D+01  0.854123D+00  0.658186D+01  0.599856D+00 -0.204052D+01
      4   0.517413D+01 -0.122101D+01  0.634644D+01  0.860986D+01  0.176321D+01
      5  -0.249810D+00  0.326441D+01 -0.487246D+00  0.168587D+01 -0.441071D+01
      6   0.342076D+00 -0.144217D+01  0.938958D+00 -0.258087D+01  0.533135D+00
                16            17            18            19            20 
      1   0.917370D+01  0.269732D+01  0.987098D+01 -0.145779D+02 -0.396689D+01
      2  -0.509208D+01 -0.152648D+00  0.580751D+01  0.140199D+02  0.585783D+01
      3  -0.408162D+01 -0.254467D+01 -0.156785D+02  0.557948D+00 -0.189095D+01
      4  -0.164259D+01  0.177236D+01 -0.437188D+01  0.665703D+00  0.129781D+01
      5   0.863535D+01 -0.383918D+01 -0.198146D+02  0.804637D+01  0.159010D+01
      6  -0.633930D+00  0.509305D+01  0.226345D+00  0.204991D+01 -0.226348D+00
                21            22            23            24            25 
      1   0.342780D+01  0.751099D+01  0.118023D+02  0.626535D+01 -0.391542D+01
      2  -0.361384D+01 -0.775643D+01 -0.208251D+02 -0.364796D+01 -0.200849D+00
      3   0.186043D+00  0.245435D+00  0.902280D+01 -0.261739D+01  0.411627D+01
      4   0.270405D+01 -0.104388D+02  0.162920D+00  0.211927D+01  0.166870D+01
      5  -0.132886D+01  0.518760D+01  0.529106D+01 -0.963374D+00  0.633098D+00
      6  -0.234752D+00  0.236871D+01 -0.371772D+00 -0.281002D+01 -0.105958D+00
                26            27            28            29            30 
      1   0.358132D+01  0.605913D+01 -0.767313D+01 -0.307240D+01 -0.862902D+01
      2  -0.389203D+01  0.855349D+01  0.105678D+02  0.542948D+01  0.752485D+01
      3   0.310716D+00 -0.146126D+02 -0.289464D+01 -0.235708D+01  0.110417D+01
      4  -0.228568D+01  0.190590D+00 -0.387007D+01 -0.474180D+01 -0.736101D+01
      5   0.780222D+00  0.271226D+01 -0.207456D+02 -0.884188D+01 -0.182263D+02
      6   0.252167D+01  0.662656D+01 -0.579318D+01 -0.408470D+01 -0.543986D+01
                31            32            33            34            35 
      1  -0.521156D+01 -0.557946D+01 -0.438368D+01 -0.249066D+02 -0.101944D+02
      2   0.291165D+01  0.831350D+01  0.606318D+01  0.116111D+02  0.167982D+01
      3   0.229991D+01 -0.273405D+01 -0.167950D+01  0.132954D+02  0.851456D+01
      4   0.387944D+01 -0.930219D+01 -0.289853D+01 -0.152402D+02 -0.654607D+01
      5  -0.124363D+02 -0.677728D+01 -0.105889D+02 -0.176747D+02 -0.209911D+01
      6  -0.193417D+01 -0.565999D+01  0.532058D+00 -0.538265D-01 -0.863283D+01
                36            37            38            39            40 
      1  -0.112497D+01 -0.204060D+02 -0.773407D+01  0.635018D+01 -0.127625D+02
      2   0.669245D+01  0.917922D+01  0.273310D+01 -0.249719D+01  0.780697D+01
      3  -0.556748D+01  0.112267D+02  0.500097D+01 -0.385299D+01  0.495555D+01
      4  -0.199049D+01 -0.130852D+02 -0.829403D+00  0.669872D+01 -0.819708D+00
      5  -0.500752D+01  0.137347D+02  0.906711D+01 -0.233656D+00  0.102894D+02
      6  -0.298955D+01  0.641805D+01  0.129802D+01 -0.241976D+01  0.211381D+01
                41            42            43            44            45 
      1  -0.605473D+01  0.583506D+01  0.364874D+01  0.185068D+00 -0.134362D+02
      2   0.481793D+01 -0.483726D+01  0.379841D+01  0.449076D+01 -0.106789D+02
      3   0.123680D+01 -0.997798D+00 -0.744715D+01 -0.467583D+01  0.241151D+02
      4  -0.378226D+01 -0.404962D+01  0.617404D+01 -0.290525D+01 -0.428486D+01
      5  -0.265152D+01 -0.461931D+01  0.896626D+01 -0.349538D+01 -0.201156D+02
      6   0.150833D+01  0.579080D+01 -0.303605D+01  0.819032D+01 -0.139696D+01
                46            47            48            49            50 
      1  -0.124838D+01  0.218718D+02 -0.175956D+02  0.265801D+02 -0.402964D+01
      2   0.121356D+01 -0.132174D+02  0.840341D+01 -0.173929D+02 -0.439059D+01
      3   0.348209D-01 -0.865434D+01  0.919220D+01 -0.918725D+01  0.842023D+01
      4   0.225063D+02 -0.272087D+01  0.258134D+01 -0.772501D+01 -0.264670D+02
      5  -0.200433D+02  0.335146D+01 -0.134228D+02  0.467290D+01 -0.922528D+01
      6   0.108641D+00 -0.327934D+00  0.524832D+00 -0.161746D+01 -0.229960D+01
                51            52            53            54            55 
      1   0.609114D+01 -0.241124D+02  0.369231D+01 -0.128985D+02  0.175140D+02
      2  -0.329492D+01  0.996656D+01 -0.179396D+01  0.148774D+02 -0.164889D+02
      3  -0.279622D+01  0.141458D+02 -0.189835D+01 -0.197888D+01 -0.102508D+01
      4  -0.728072D+01  0.391582D+01 -0.618817D+01  0.808606D+01  0.104536D+02
      5   0.107351D+02 -0.212842D+02  0.891976D+01  0.285743D+02 -0.255827D+01
      6   0.107721D+01  0.176722D+00 -0.973883D+00  0.160919D+01  0.533833D+01
                56            57            58            59            60 
      1  -0.375819D+01  0.352318D+00 -0.655011D+01 -0.170589D+02 -0.454363D+01
      2   0.868793D+01 -0.273057D+01  0.131463D+02  0.287903D+02  0.561390D+01
      3  -0.492974D+01  0.237825D+01 -0.659615D+01 -0.117314D+02 -0.107028D+01
      4  -0.581633D+01  0.394910D+01  0.146292D+01  0.123093D+02 -0.442208D+01
      5   0.253443D+01  0.101113D+01 -0.414693D+00 -0.395081D+01  0.243121D+01
      6  -0.490875D+01  0.123910D+02 -0.542082D+01  0.627306D+01  0.437526D+00
                61            62            63            64            65 
      1   0.248961D+01 -0.498761D+00  0.315801D+01  0.396101D+02  0.105677D+02
      2  -0.326933D+01  0.511916D+01 -0.321480D+01 -0.270180D+02 -0.732684D+01
      3   0.779721D+00 -0.462040D+01  0.567886D-01 -0.125921D+02 -0.324089D+01
      4   0.486342D+01 -0.379179D+01  0.101881D+02  0.129608D+02  0.150488D+02
      5   0.119695D+01  0.356112D+01  0.551184D+00  0.288686D+02  0.709055D+01
      6   0.137032D+02 -0.387981D+01 -0.135192D+02  0.544931D+01  0.681269D+01
                66            67            68            69            70 
      1   0.130046D+02  0.554396D+01  0.953986D+00 -0.522481D+00  0.205740D+02
      2  -0.123896D+02 -0.110815D+01  0.510974D+01 -0.223300D+00 -0.191306D+02
      3  -0.615009D+00 -0.443581D+01 -0.606373D+01  0.745781D+00 -0.144338D+01
      4   0.682165D+01  0.166896D+02  0.172401D+02  0.111940D+02  0.981406D+01
      5   0.276698D+02  0.910993D+01  0.129938D+02  0.113080D+02  0.288167D+02
      6   0.503669D+01  0.485024D+01  0.907226D+01  0.113684D+02  0.539354D+01
                71            72            73            74            75 
      1   0.575117D+01  0.103707D+01  0.109234D+01 -0.177424D+00 -0.147144D+00
      2  -0.689650D+01 -0.150025D+02 -0.408976D+01  0.108145D+00  0.143226D+01
      3   0.114532D+01  0.139654D+02  0.299742D+01  0.692796D-01 -0.128512D+01
      4   0.110676D+02  0.746544D+01  0.612591D+00  0.148872D+01 -0.128667D+01
      5   0.977648D+01  0.346807D+02 -0.249998D+01 -0.394597D+00  0.637275D+01
      6   0.125520D+02  0.905841D+01 -0.129645D+01 -0.714645D+00  0.997619D+00
                76            77            78            79            80 
      1   0.215069D+00 -0.431166D+01 -0.515717D+00  0.500371D+00  0.155686D+01
      2   0.119342D+00  0.151105D+01 -0.142265D+01  0.203456D+01 -0.209878D+01
      3  -0.334411D+00  0.280061D+01  0.193837D+01 -0.253493D+01  0.541921D+00
      4   0.182046D+01 -0.399873D+00 -0.546595D+00 -0.608320D+00  0.214354D-01
      5  -0.617768D-01 -0.100503D+01 -0.584482D+00  0.425625D+01  0.344568D+00
      6  -0.584109D+00 -0.202617D+00  0.580030D+01  0.237552D+00  0.384063D+01
                81            82            83            84            85 
      1  -0.153610D+02  0.141557D+01  0.227327D+01  0.277577D+01  0.280382D+01
      2  -0.140037D+02 -0.405549D+01 -0.876643D+00  0.862633D-01 -0.163539D+01
      3   0.293647D+02  0.263992D+01 -0.139663D+01 -0.286203D+01 -0.116843D+01
      4   0.870539D+00  0.230078D+01  0.692201D+00  0.141572D+00  0.110700D+01
      5  -0.309425D+01  0.895450D+00  0.193062D+00  0.466102D+01  0.619652D-01
      6  -0.751164D+01  0.689034D-01 -0.336012D+00 -0.301627D+00 -0.248906D+00
                86            87            88            89            90 
      1  -0.468234D+01 -0.139942D+01  0.456924D+01 -0.582717D+00 -0.165929D+02
      2   0.132342D+01 -0.126128D+01 -0.170657D+01 -0.250760D+01 -0.148517D+02
      3   0.335892D+01  0.266070D+01 -0.286267D+01  0.309032D+01  0.314446D+02
      4  -0.416769D+00  0.215976D+01  0.423829D+00  0.316263D+01  0.242238D+01
      5   0.237529D+01  0.206479D+01  0.271118D+01  0.179743D+01  0.179093D+02
      6   0.183516D+01  0.661903D+01  0.695749D-01  0.362957D+01  0.656213D-01
                91            92            93            94            95 
      1   0.395032D+02  0.877025D+01 -0.135971D+02  0.102521D+02  0.498971D+01
      2  -0.229012D+02 -0.446948D+01  0.100674D+02 -0.457688D+01 -0.102517D+01
      3  -0.166019D+02 -0.430077D+01  0.352977D+01 -0.567518D+01 -0.396454D+01
      4   0.119853D+02  0.800487D+01 -0.498519D+01  0.112030D+02  0.648376D+01
      5  -0.264088D+02 -0.681065D+01  0.168258D+02 -0.947753D+01 -0.604659D+01
      6  -0.589434D+01 -0.362391D+01  0.333541D+01 -0.454318D+01 -0.306426D+01
                96            97            98            99           100 
      1  -0.423684D+01 -0.158390D+01  0.300351D-03  0.275085D+01 -0.237209D+01
      2   0.297026D+01  0.393713D+01  0.826278D+00 -0.473519D+01  0.870316D+01
      3   0.126658D+01 -0.235323D+01 -0.826578D+00  0.198435D+01 -0.633108D+01
      4  -0.489580D+01 -0.115431D+01 -0.129502D+01  0.172536D+01 -0.123343D+02
      5   0.650059D+01  0.868636D+01  0.224030D+01 -0.921779D+01  0.368027D+01
      6   0.357551D+01  0.149787D+01  0.172681D+01 -0.200430D+01 -0.726829D+01
               101           102           103           104           105 
      1   0.728397D+01 -0.212672D+01  0.466315D+01 -0.122029D+02  0.364907D+01
      2  -0.151944D+02  0.423311D+01 -0.103323D+02  0.221375D+02 -0.661896D+01
      3   0.791040D+01 -0.210639D+01  0.566920D+01 -0.993456D+01  0.296989D+01
      4   0.168200D+02 -0.659775D+01  0.132033D+02 -0.136601D+02  0.534750D+01
      5  -0.355921D+01  0.388919D+01 -0.164147D+01  0.302034D+01 -0.192310D+01
      6   0.869024D+01 -0.761417D+01  0.657864D+01 -0.982774D+01  0.798608D+01
               106           107           108           109           110 
      1  -0.364099D+01  0.736768D+01 -0.592586D+01 -0.190856D+01  0.177380D+01
      2   0.500055D+01 -0.101333D+02  0.525310D+01  0.250669D+01 -0.273963D+01
      3  -0.135956D+01  0.276562D+01  0.672766D+00 -0.598134D+00  0.965833D+00
      4  -0.842933D+01  0.833081D+01 -0.711823D+01 -0.162196D+01  0.488617D+01
      5   0.400093D+01 -0.357559D+01  0.362275D+01 -0.124423D+01  0.111567D+01
      6  -0.823077D+01  0.123944D+02 -0.996117D+01  0.185673D+01 -0.329571D+01
               111           112           113           114           115 
      1   0.164594D+01  0.498582D+00 -0.474527D+01 -0.259205D+01  0.136694D+01
      2  -0.149753D+01 -0.964705D+00  0.638232D+01  0.375046D+01 -0.128692D+01
      3  -0.148406D+00  0.466123D+00 -0.163705D+01 -0.115841D+01 -0.800195D-01
      4   0.232655D+01  0.366912D+01 -0.197965D+01 -0.229924D+01  0.478964D+01
      5   0.262399D+01  0.288651D+00 -0.124452D+01 -0.100818D+01  0.240395D+01
      6  -0.525832D+01 -0.259196D+01  0.438572D+01  0.703484D+01 -0.542370D+01
               116           117           118           119           120 
      1  -0.833121D+01 -0.101667D+02  0.533490D+02 -0.114324D+02  0.164552D+02
      2   0.891960D+01  0.267493D+01 -0.291896D+02  0.604239D+01 -0.973136D+01
      3  -0.588387D+00  0.749177D+01 -0.241593D+02  0.538998D+01 -0.672381D+01
      4  -0.382550D+01 -0.427460D+01 -0.113570D+02  0.102740D+02 -0.379382D+01
      5  -0.178247D+01 -0.373551D+01  0.195084D+02 -0.450203D+01  0.154730D+02
      6   0.117847D+02  0.244280D+02 -0.393213D+00  0.703583D+00 -0.679581D-01
               121           122           123           124           125 
      1  -0.220791D+02  0.803120D+01 -0.507673D+01  0.251538D+02 -0.364636D+01
      2   0.119421D+02 -0.201649D+01  0.301271D+01 -0.154461D+02  0.238927D+01
      3   0.101370D+02 -0.601472D+01  0.206402D+01 -0.970768D+01  0.125708D+01
      4   0.131511D+02 -0.743752D+01  0.589353D+01 -0.484595D+01  0.742522D+01
      5  -0.710536D+01  0.607167D+01 -0.785869D+01  0.197346D+02 -0.571934D+01
      6   0.157026D+01 -0.152990D+01  0.186109D+01 -0.781898D+00  0.219318D+01
               126           127           128           129           130 
      1   0.120819D+02  0.885404D+01 -0.252294D+01 -0.599481D+01 -0.616312D+01
      2  -0.108844D+02 -0.745440D+01  0.178315D+01  0.502858D+01  0.413590D+01
      3  -0.119753D+01 -0.139964D+01  0.739795D+00  0.966233D+00  0.202722D+01
      4  -0.497392D+01 -0.216745D+01  0.241157D+01  0.692375D-01  0.441086D+01
      5   0.132051D+02 -0.750608D+01  0.448786D+00  0.122900D+02  0.213205D+01
      6  -0.130020D+01  0.624311D-01 -0.106415D+00  0.618710D+00 -0.155561D+01
               131           132           133           134           135 
      1   0.320074D+00 -0.171680D-01 -0.125834D+02 -0.966133D+00  0.339422D+01
      2  -0.144595D+00 -0.129997D+01  0.115109D+02 -0.246282D+00 -0.176852D+02
      3  -0.175479D+00  0.131714D+01  0.107245D+01  0.121241D+01  0.142910D+02
      4   0.471964D+00 -0.475550D+01 -0.775732D+00 -0.715817D+01 -0.266956D+01
      5  -0.435487D+01 -0.558272D+01  0.206983D+02 -0.253230D+01 -0.411132D+02
      6   0.127861D+01  0.402048D+01  0.338222D+00  0.427728D+01 -0.179816D+01
               136           137           138           139           140 
      1   0.181809D+01  0.401283D+01  0.246864D+01  0.117297D+02 -0.735482D+00
      2   0.202814D+01  0.480098D+00 -0.112832D+01 -0.297761D+01  0.157187D+02
      3  -0.384624D+01 -0.449293D+01 -0.134032D+01 -0.875207D+01 -0.149832D+02
      4   0.510454D+01  0.100995D+02  0.553745D+00  0.164196D+02  0.411828D+02
      5   0.243342D+01  0.199333D+00  0.249539D+01  0.254277D+00  0.461532D+01
      6   0.275484D+00 -0.100958D+00  0.557110D+00  0.778562D+00  0.218864D+01
               141           142           143           144           145 
      1  -0.910001D+00  0.448862D+01 -0.802852D+00  0.926838D+00  0.133409D+02
      2   0.160625D+01 -0.204636D+01  0.110228D+01 -0.813834D+00  0.122325D+01
      3  -0.696248D+00 -0.244226D+01 -0.299427D+00 -0.113005D+00 -0.145642D+02
      4   0.370063D+01  0.116457D+01  0.437556D+01  0.431087D+01 -0.267410D+02
      5   0.628826D+01  0.554450D+01  0.486472D+01 -0.543559D+00  0.932706D+01
      6   0.449802D+01  0.156713D+01  0.556834D+01  0.153841D+01 -0.946397D+01
               146           147           148           149           150 
      1  -0.290338D+01  0.336111D+01 -0.194823D+01 -0.277107D+01  0.151307D+01
      2  -0.918233D+01  0.151780D-01 -0.716610D+01  0.145784D+02 -0.500387D+01
      3   0.120857D+02 -0.337629D+01  0.911433D+01 -0.118074D+02  0.349079D+01
      4   0.243483D+02 -0.103255D+02  0.186678D+02 -0.199341D+02  0.752301D+01
      5  -0.600932D+01  0.828409D+01 -0.407759D+01  0.581356D+01 -0.450961D+01
      6   0.721022D+01 -0.865173D+01  0.571420D+01 -0.901746D+01  0.798881D+01
               151           152           153           154           155 
      1   0.426913D+01  0.258036D+01 -0.814472D+00 -0.861090D+01 -0.137549D+02
      2  -0.570378D+00 -0.709261D+01  0.108698D+01  0.105380D+02  0.174785D+02
      3  -0.369875D+01  0.451225D+01 -0.272512D+00 -0.192708D+01 -0.372360D+01
      4  -0.121787D+02  0.112790D+02 -0.996897D+01  0.152342D+02  0.796319D+01
      5   0.876653D+01 -0.691856D+01  0.723255D+01 -0.118626D+01 -0.138531D+01
      6  -0.815647D+01  0.106803D+02 -0.775926D+01 -0.719657D+01 -0.495373D+01
               156           157           158           159           160 
      1   0.445946D+01 -0.884553D+01 -0.111435D+02  0.348061D+01  0.479189D+01
      2  -0.345178D+01  0.111890D+02  0.162537D+02 -0.452890D+01 -0.269936D+01
      3  -0.100768D+01 -0.234347D+01 -0.511017D+01  0.104829D+01 -0.209252D+01
      4  -0.488344D+01  0.919994D+01  0.550142D+01 -0.137408D+01 -0.558534D+01
      5   0.174142D+01 -0.567446D+00 -0.152728D+00 -0.207789D+00  0.282959D+01
      6   0.612114D+01 -0.348659D+01 -0.541544D+01  0.569011D+01  0.461336D+01
               161           162           163           164           165 
      1   0.562956D+01 -0.551036D+01 -0.564418D+00 -0.175882D+01 -0.151134D+01
      2  -0.680281D+01  0.335356D+01  0.106228D+01  0.213401D+00  0.104994D+01
      3   0.117325D+01  0.215680D+01 -0.497862D+00  0.154542D+01  0.461405D+00
      4  -0.485041D+00  0.162148D+01 -0.268793D+01  0.580636D+01  0.255302D+01
      5  -0.680511D+00 -0.186591D+01 -0.216013D+01  0.112002D+01  0.511072D+01
      6   0.755942D+01 -0.355533D+01  0.205545D+01 -0.622294D+00 -0.214533D+01
               166           167           168           169           170 
      1  -0.492768D+00 -0.466403D+01 -0.449653D+01 -0.207787D+01 -0.882472D+01
      2  -0.473770D+00  0.535815D+01  0.508806D+01  0.132060D+01  0.956953D+01
      3   0.966538D+00 -0.694116D+00 -0.591528D+00  0.757271D+00 -0.744809D+00
      4   0.418741D+01 -0.299244D+01 -0.272601D+01  0.484961D+01 -0.671749D+01
      5  -0.169459D-01 -0.275053D+01 -0.276138D+01  0.575227D+01 -0.635545D+01
      6  -0.713866D+00  0.646830D+01  0.105271D+02 -0.319221D+01  0.148387D+02
               171 
      1  -0.115763D+02
      2  -0.867068D-01
      3   0.116630D+02
      4  -0.727545D+01
      5  -0.160521D+02
      6   0.287019D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x         -0.368312D-01     -0.936155D-01     -0.312268D+00
   y          0.177371D+00      0.450833D+00      0.150382D+01
   z          0.626202D+00      0.159165D+01      0.530916D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822268D+02      0.121848D+02      0.135574D+02
   yx         0.249082D+01      0.369102D+00      0.410681D+00
   yy         0.741808D+02      0.109925D+02      0.122308D+02
   zx         0.335195D+00      0.496708D-01      0.552662D-01
   zy         0.107135D+01      0.158758D+00      0.176643D+00
   zz         0.688386D+02      0.102008D+02      0.113500D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.805730D+02      0.119397D+02      0.132847D+02
   aniso      0.142575D+02      0.211275D+01      0.235075D+01
   xx         0.884589D+02      0.131083D+02      0.145849D+02
   yx         0.318529D+01      0.472011D+00      0.525183D+00
   yy         0.796896D+02      0.118088D+02      0.131390D+02
   zx         0.263760D+00      0.390852D-01      0.434881D-01
   zy         0.124144D+01      0.183962D+00      0.204685D+00
   zz         0.735704D+02      0.109020D+02      0.121301D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.99249768         -3.18249876         -0.90290510
     6          2.19035984         -0.57923332          0.33502886
     6         -0.00297730          1.15458809         -0.47444508
     6         -2.54686049         -0.15953132         -0.20984605
     8         -3.08485596         -0.72810269          2.23433408
     6          4.72544855          0.66250633         -0.26853606
     7          0.07337461          3.54723126          0.90648257
     8         -3.98833187         -0.62544017         -1.90605006
     1          0.19208718          1.57229809         -2.48495053
     1          2.04251315         -0.82123374          2.38570254
     1         -4.74195086         -1.51021113          2.24867232
     1         -1.22090478          4.77874195          0.21945608
     1         -0.32365726          3.26132185          2.75883173
     1          6.27998206         -0.48838600          0.44798414
     1          4.97063072          0.84937966         -2.31194813
     1          4.85303910          2.53884446          0.56403237
     1          3.58435338         -4.36532922         -0.33999176
     1          0.26222133         -4.17119614         -0.37366216
     1          2.02275779         -3.02151071         -2.96153797

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.651879D+00      0.165691D+01      0.552686D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822613D+02      0.121899D+02      0.135631D+02
   yx         0.250318D+01      0.370933D+00      0.412719D+00
   yy         0.732610D+02      0.108562D+02      0.120791D+02
   zx         0.276661D+00      0.409969D-01      0.456152D-01
   zy         0.218132D+01      0.323238D+00      0.359650D+00
   zz         0.697239D+02      0.103320D+02      0.114959D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.805730D+02      0.119397D+02      0.132847D+02
   aniso      0.142575D+02      0.211275D+01      0.235075D+01
   xx         0.884916D+02      0.131131D+02      0.145903D+02
   yx         0.321624D+01      0.476598D+00      0.530287D+00
   yy         0.786340D+02      0.116524D+02      0.129650D+02
   zx         0.317646D+00      0.470703D-01      0.523728D-01
   zy         0.249078D+01      0.369095D+00      0.410673D+00
   zz         0.745934D+02      0.110536D+02      0.122988D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-03\Freq\RB3LYP\Gen\C5H11N1O2\PIERPA\26-Sep-2021\0\\#P
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 ... THE UNIVERSE IS NOT ONLY QUEERER THAN WE SUPPOSE,
 BUT QUEERER THAN WE CAN SUPPOSE ... 

                                   -- J. B. S. HALDANE
 Job cpu time:       0 days  1 hours 24 minutes 36.1 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 36.3 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:00:46 2021.
